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author	deepakjadmin
date	Wed, 20 Jan 2016 09:23:18 -0500
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0 4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1 <html>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	2 <head>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	3 <title>MayaChemTools:Code:SimilaritySearchingFingerprints.pl</title>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	4 <meta http-equiv="content-type" content="text/html;charset=utf-8">
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	5 <link rel="stylesheet" type="text/css" href="../../../css/MayaChemToolsCode.css">
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	6 </head>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	7 <body leftmargin="20" rightmargin="20" topmargin="10" bottommargin="10">
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	8 <br/>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	9 <center>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	10 <a href="http://www.mayachemtools.org" title="MayaChemTools Home"><img src="../../../images/MayaChemToolsLogo.gif" border="0" alt="MayaChemTools"></a>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	11 </center>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	12 <br/>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	13 <pre>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	14 1 #!/usr/bin/perl -w
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	15 2 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	16 3 <span class="c"># $RCSfile: SimilaritySearchingFingerprints.pl,v $</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	17 4 <span class="c"># $Date: 2015/02/28 20:46:21 $</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	18 5 <span class="c"># $Revision: 1.18 $</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	19 6 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	20 7 <span class="c"># Author: Manish Sud <msud@san.rr.com></span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	21 8 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	22 9 <span class="c"># Copyright (C) 2015 Manish Sud. All rights reserved.</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	23 10 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	24 11 <span class="c"># This file is part of MayaChemTools.</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	25 12 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	26 13 <span class="c"># MayaChemTools is free software; you can redistribute it and/or modify it under</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	27 14 <span class="c"># the terms of the GNU Lesser General Public License as published by the Free</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	28 15 <span class="c"># Software Foundation; either version 3 of the License, or (at your option) any</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	29 16 <span class="c"># later version.</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	30 17 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	31 18 <span class="c"># MayaChemTools is distributed in the hope that it will be useful, but without</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	32 19 <span class="c"># any warranty; without even the implied warranty of merchantability of fitness</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	33 20 <span class="c"># for a particular purpose. See the GNU Lesser General Public License for more</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	34 21 <span class="c"># details.</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	35 22 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	36 23 <span class="c"># You should have received a copy of the GNU Lesser General Public License</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	37 24 <span class="c"># along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	38 25 <span class="c"># write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	39 26 <span class="c"># Boston, MA, 02111-1307, USA.</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	40 27 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	41 28
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	42 29 <span class="k">use</span> <span class="w">strict</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	43 30 <span class="k">use</span> <span class="w">FindBin</span><span class="sc">;</span> <span class="k">use</span> <span class="w">lib</span> <span class="q">"$FindBin::Bin/../lib"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	44 31 <span class="k">use</span> <span class="w">Getopt::Long</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	45 32 <span class="k">use</span> <span class="w">File::Basename</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	46 33 <span class="k">use</span> <span class="w">Text::ParseWords</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	47 34 <span class="k">use</span> <span class="w">Benchmark</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	48 35 <span class="k">use</span> <span class="w">FileUtil</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	49 36 <span class="k">use</span> <span class="w">TextUtil</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	50 37 <span class="k">use</span> <span class="w">SDFileUtil</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	51 38 <span class="k">use</span> <span class="w">StatisticsUtil</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	52 39 <span class="k">use</span> <span class="w">PseudoHeap</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	53 40 <span class="k">use</span> <span class="w">Fingerprints::FingerprintsFileUtil</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	54 41 <span class="k">use</span> <span class="w">Fingerprints::FingerprintsBitVector</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	55 42 <span class="k">use</span> <span class="w">Fingerprints::FingerprintsVector</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	56 43
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	57 44 <span class="k">my</span><span class="s">(</span><span class="i">$ScriptName</span><span class="cm">,</span> <span class="i">%Options</span><span class="cm">,</span> <span class="i">$StartTime</span><span class="cm">,</span> <span class="i">$EndTime</span><span class="cm">,</span> <span class="i">$TotalTime</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	58 45
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	59 46 <span class="c"># Autoflush STDOUT</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	60 47 <span class="i">$\|</span> = <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	61 48
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	62 49 <span class="c"># Starting message...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	63 50 <span class="i">$ScriptName</span> = <span class="i">basename</span><span class="s">(</span><span class="i">$0</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	64 51 <span class="k">print</span> <span class="q">"\n$ScriptName: Starting...\n\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	65 52 <span class="i">$StartTime</span> = <span class="w">new</span> <span class="w">Benchmark</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	66 53
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	67 54 <span class="c"># Get the options and setup script...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	68 55 <span class="i">SetupScriptUsage</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	69 56 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">help</span>} \|\| <span class="i">@ARGV</span> != <span class="n">2</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	70 57 <span class="k">die</span> <span class="i">GetUsageFromPod</span><span class="s">(</span><span class="q">"$FindBin::Bin/$ScriptName"</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	71 58 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	72 59
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	73 60 <span class="c"># Process reference and database file names...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	74 61 <span class="k">my</span><span class="s">(</span><span class="i">@FingerprintsFilesList</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	75 62 <span class="i">ProcessFingerprintsFileNames</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	76 63
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	77 64 <span class="c"># Process options...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	78 65 <span class="k">print</span> <span class="q">"Processing options...\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	79 66 <span class="k">my</span><span class="s">(</span><span class="i">%OptionsInfo</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	80 67 <span class="i">ProcessOptions</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	81 68
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	82 69 <span class="c"># Setup information about fingerprints inut and SD/text output files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	83 70 <span class="k">my</span><span class="s">(</span><span class="i">%FingerprintsFilesInfo</span><span class="cm">,</span> <span class="i">%OutputFilesInfo</span><span class="cm">,</span> <span class="i">%SimilaritySearchInfo</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	84 71 <span class="k">print</span> <span class="q">"Checking and retrieving information from reference and database fingerprints files...\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	85 72 <span class="i">RetrieveFingerprintsFilesInfo</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	86 73
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	87 74 <span class="c"># Perform similarity search...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	88 75 <span class="k">print</span> <span class="q">"Performing similarity search...\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	89 76 <span class="k">my</span><span class="s">(</span><span class="i">%SimilaritySearchResults</span><span class="cm">,</span> <span class="i">%DatabaseFingerprintsFileData</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	90 77 <span class="i">PerformSimilaritySearch</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	91 78
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	92 79 <span class="k">print</span> <span class="q">"\n$ScriptName:Done...\n\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	93 80
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	94 81 <span class="i">$EndTime</span> = <span class="w">new</span> <span class="w">Benchmark</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	95 82 <span class="i">$TotalTime</span> = <span class="w">timediff</span> <span class="s">(</span><span class="i">$EndTime</span><span class="cm">,</span> <span class="i">$StartTime</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	96 83 <span class="k">print</span> <span class="q">"Total time: "</span><span class="cm">,</span> <span class="i">timestr</span><span class="s">(</span><span class="i">$TotalTime</span><span class="s">)</span><span class="cm">,</span> <span class="q">"\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	97 84
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	98 85 <span class="c">###############################################################################</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	99 86
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	100 87 <span class="c"># Perform similarity search using fingerprints data in reference and database text files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	101 88 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	102 <a name="PerformSimilaritySearch-"></a> 89 <span class="k">sub </span><span class="m">PerformSimilaritySearch</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	103 90
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	104 91 <span class="k">print</span> <span class="q">"\nProcessing fingerprints data for reference molecules...\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	105 92 <span class="i">ReadReferenceFingerprintsData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	106 93
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	107 94 <span class="i">InitializeSimilaritySearchResults</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	108 95 <span class="i">GenerateSimilaritySearchResults</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	109 96 <span class="i">WriteSimilaritySearchResultFiles</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	110 97 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	111 98
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	112 99 <span class="c"># Find similar molecules from database molecules for individual or multiple reference molecules...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	113 100 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	114 <a name="GenerateSimilaritySearchResults-"></a> 101 <span class="k">sub </span><span class="m">GenerateSimilaritySearchResults</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	115 102 <span class="k">my</span><span class="s">(</span><span class="i">$DatabaseFingerprintsFileIO</span><span class="cm">,</span> <span class="i">$FingerprintsCount</span><span class="cm">,</span> <span class="i">$IgnoredFingerprintsCount</span><span class="cm">,</span> <span class="i">$DatabaseFingerprintsObject</span><span class="cm">,</span> <span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$ReferenceFingerprintsObject</span><span class="cm">,</span> <span class="i">$ReferenceIndex</span><span class="cm">,</span> <span class="i">$ReferenceCmpdID</span><span class="cm">,</span> <span class="i">$ComparisonValue</span><span class="cm">,</span> <span class="i">$FusedComparisonValue</span><span class="cm">,</span> <span class="i">@ComparisonValues</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	116 103
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	117 104 <span class="k">print</span> <span class="q">"Processing fingerprints data for database molecules...\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	118 105
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	119 106 <span class="s">(</span><span class="i">$FingerprintsCount</span><span class="cm">,</span> <span class="i">$IgnoredFingerprintsCount</span><span class="s">)</span> = <span class="s">(</span><span class="n">0</span><span class="s">)</span> x <span class="n">3</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	120 107
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	121 108 <span class="i">$DatabaseFingerprintsFileIO</span> = <span class="i">Fingerprints::FingerprintsFileUtil::NewFingerprintsFileIO</span><span class="s">(</span><span class="i">%</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">FingerprintsFileIOParameters</span>}}<span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	122 109 <span class="i">$DatabaseFingerprintsFileIO</span><span class="i">->Open</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	123 110
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	124 111 <span class="i">@ComparisonValues</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	125 112
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	126 113 <span class="j">DATABASEFP:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$DatabaseFingerprintsFileIO</span><span class="i">->Read</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	127 114 <span class="i">$FingerprintsCount</span>++<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	128 115
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	129 116 <span class="k">if</span> <span class="s">(</span>!<span class="i">$DatabaseFingerprintsFileIO</span><span class="i">->IsFingerprintsDataValid</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	130 117 <span class="i">$IgnoredFingerprintsCount</span>++<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	131 118 <span class="k">next</span> <span class="j">DATABASEFP</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	132 119 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	133 120 <span class="i">$DatabaseFingerprintsObject</span> = <span class="i">$DatabaseFingerprintsFileIO</span><span class="i">->GetFingerprints</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	134 121 <span class="i">$DatabaseCmpdID</span> = <span class="i">$DatabaseFingerprintsFileIO</span><span class="i">->GetCompoundID</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	135 122
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	136 123 <span class="k">if</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">MultipleReferencesMode</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	137 124 <span class="i">@ComparisonValues</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	138 125 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	139 126
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	140 127 <span class="j">REFERENCEFP:</span> <span class="k">for</span> <span class="i">$ReferenceIndex</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$SimilaritySearchInfo</span>{<span class="w">ReferenceCmpdIDsRef</span>}}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	141 128 <span class="i">$ReferenceCmpdID</span> = <span class="i">$SimilaritySearchInfo</span>{<span class="w">ReferenceCmpdIDsRef</span>}->[<span class="i">$ReferenceIndex</span>]<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	142 129 <span class="i">$ReferenceFingerprintsObject</span> = <span class="i">$SimilaritySearchInfo</span>{<span class="w">ReferenceFingerprintsObjectsRef</span>}->[<span class="i">$ReferenceIndex</span>]<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	143 130
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	144 131 <span class="i">$ComparisonValue</span> = <span class="i">CompareReferenceAndDatabaseFingerprintsPair</span><span class="s">(</span><span class="i">$ReferenceFingerprintsObject</span><span class="cm">,</span> <span class="i">$DatabaseFingerprintsObject</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	145 132 <span class="k">if</span> <span class="s">(</span>!<span class="k">defined</span> <span class="i">$ComparisonValue</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	146 133 <span class="k">next</span> <span class="j">REFERENCEFP</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	147 134 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	148 135
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	149 136 <span class="k">if</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">IndividualReferenceMode</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	150 137 <span class="i">CollectSimilaritySearchResults</span><span class="s">(</span><span class="i">$DatabaseFingerprintsFileIO</span><span class="cm">,</span> <span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$ComparisonValue</span><span class="cm">,</span> <span class="i">$ReferenceCmpdID</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	151 138 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	152 139 <span class="k">elsif</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">MultipleReferencesMode</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	153 140 <span class="k">push</span> <span class="i">@ComparisonValues</span><span class="cm">,</span> <span class="i">$ComparisonValue</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	154 141 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	155 142 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	156 143
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	157 144 <span class="k">if</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">MultipleReferencesMode</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	158 145 <span class="i">$FusedComparisonValue</span> = <span class="i">CalculateGroupFusionComparisonValue</span><span class="s">(</span>\<span class="i">@ComparisonValues</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	159 146 <span class="k">if</span> <span class="s">(</span>!<span class="k">defined</span> <span class="i">$FusedComparisonValue</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	160 147 <span class="k">next</span> <span class="j">DATABASEFP</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	161 148 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	162 149 <span class="i">CollectSimilaritySearchResults</span><span class="s">(</span><span class="i">$DatabaseFingerprintsFileIO</span><span class="cm">,</span> <span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$FusedComparisonValue</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	163 150 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	164 151 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	165 152 <span class="i">$DatabaseFingerprintsFileIO</span><span class="i">->Close</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	166 153
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	167 154 <span class="k">print</span> <span class="q">"Number of fingerprints data entries in database fingerprints file: $FingerprintsCount\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	168 155 <span class="k">print</span> <span class="q">"Number of fingerprints date entries processed successfully: "</span><span class="cm">,</span> <span class="s">(</span><span class="i">$FingerprintsCount</span> - <span class="i">$IgnoredFingerprintsCount</span><span class="s">)</span> <span class="cm">,</span> <span class="q">"\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	169 156 <span class="k">print</span> <span class="q">"Number of fingerprints data entries ignored due to missing/invalid data: $IgnoredFingerprintsCount\n\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	170 157 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	171 158
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	172 159 <span class="c"># Compare a pair of reference and database fingerprints objects corresponding to bit-vector or</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	173 160 <span class="c"># vectors using specified comparison method and comparison cutoff...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	174 161 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	175 <a name="CompareReferenceAndDatabaseFingerprintsPair-"></a> 162 <span class="k">sub </span><span class="m">CompareReferenceAndDatabaseFingerprintsPair</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	176 163 <span class="k">my</span><span class="s">(</span><span class="i">$ReferenceFingerprintsObject</span><span class="cm">,</span> <span class="i">$DatabaseFingerprintsObject</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	177 164 <span class="k">my</span><span class="s">(</span><span class="i">$ComparisonMethod</span><span class="cm">,</span> <span class="i">$ComparisonValue</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	178 165
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	179 166 <span class="i">$ComparisonMethod</span> = <span class="i">$SimilaritySearchInfo</span>{<span class="w">ComparisonMethod</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	180 167 <span class="i">$ComparisonValue</span> = <span class="i">$ReferenceFingerprintsObject</span><span class="i">->$ComparisonMethod</span><span class="s">(</span><span class="i">$DatabaseFingerprintsObject</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$SimilaritySearchInfo</span>{<span class="w">ComparisonMethodParameters</span>}}<span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	181 168
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	182 169 <span class="k">if</span> <span class="s">(</span>!<span class="k">defined</span> <span class="i">$ComparisonValue</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	183 170 <span class="k">warn</span> <span class="q">"Warning: Ignoring fingerprints data for reference compound ID "</span><span class="cm">,</span> <span class="i">$ReferenceFingerprintsObject</span><span class="i">->GetID</span><span class="s">(</span><span class="s">)</span><span class="cm">,</span> <span class="q">": Its comparison with database compound ID, "</span><span class="cm">,</span> <span class="i">$DatabaseFingerprintsObject</span><span class="i">->GetID</span><span class="s">(</span><span class="s">)</span><span class="cm">,</span> <span class="q">", failed.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	184 171 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	185 172 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	186 173
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	187 174 <span class="i">$ComparisonValue</span> = <span class="k">sprintf</span><span class="s">(</span><span class="q">"%.$OptionsInfo{Precision}f"</span><span class="cm">,</span> <span class="i">$ComparisonValue</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	188 175
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	189 176 <span class="c"># Apply any comparison cutoff...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	190 177 <span class="k">if</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">ApplyComparisonCutoff</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	191 178 <span class="k">return</span> <span class="i">$SimilaritySearchInfo</span>{<span class="w">KeepTop</span>} ? <span class="s">(</span><span class="i">$ComparisonValue</span> >= <span class="i">$SimilaritySearchInfo</span>{<span class="w">ComparisonCutoff</span>} ? <span class="i">$ComparisonValue</span> <span class="co">:</span> <span class="k">undef</span><span class="s">)</span> <span class="co">:</span> <span class="s">(</span><span class="i">$ComparisonValue</span> <= <span class="i">$SimilaritySearchInfo</span>{<span class="w">ComparisonCutoff</span>} ? <span class="i">$ComparisonValue</span> <span class="co">:</span> <span class="k">undef</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	192 179 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	193 180 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	194 181 <span class="k">return</span> <span class="i">$ComparisonValue</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	195 182 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	196 183 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	197 184
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	198 185 <span class="c"># Calculate group fusion comparison value...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	199 186 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	200 <a name="CalculateGroupFusionComparisonValue-"></a> 187 <span class="k">sub </span><span class="m">CalculateGroupFusionComparisonValue</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	201 188 <span class="k">my</span><span class="s">(</span><span class="i">$ComparisonValuesRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	202 189 <span class="k">my</span><span class="s">(</span><span class="i">$FusedComparisonValue</span><span class="cm">,</span> <span class="i">@ComparisonValues</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	203 190
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	204 191 <span class="k">if</span> <span class="s">(</span>!<span class="i">@</span>{<span class="i">$ComparisonValuesRef</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	205 192 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	206 193 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	207 194
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	208 195 <span class="k">if</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">SortComparisonValues</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	209 196 <span class="i">@ComparisonValues</span> = <span class="k">sort</span> <span class="s">{</span> <span class="i">$SimilaritySearchInfo</span>{<span class="w">KeepTop</span>} ? <span class="s">(</span><span class="i">$b</span> <=> <span class="i">$a</span><span class="s">)</span> <span class="co">:</span> <span class="s">(</span><span class="i">$a</span> <=> <span class="i">$b</span><span class="s">)</span> <span class="s">}</span> <span class="i">@</span>{<span class="i">$ComparisonValuesRef</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	210 197 <span class="k">if</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">UsekNN</span>} && <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">kNN</span>} < <span class="k">scalar</span> <span class="i">@</span>{<span class="i">$ComparisonValuesRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	211 198 <span class="c"># Keep only top kNN values for group fusion...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	212 199 <span class="k">splice</span> <span class="i">@ComparisonValues</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">kNN</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	213 200 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	214 201 <span class="i">$ComparisonValuesRef</span> = \<span class="i">@ComparisonValues</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	215 202 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	216 203
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	217 204 <span class="i">$FusedComparisonValue</span> = <span class="i">&</span>{<span class="i">$SimilaritySearchInfo</span>{<span class="w">GroupFusionMethodRef</span>}}<span class="s">(</span><span class="i">$ComparisonValuesRef</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	218 205 <span class="k">if</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">ApplyPrecisionDuringFusion</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	219 206 <span class="i">$FusedComparisonValue</span> = <span class="k">sprintf</span><span class="s">(</span><span class="q">"%.$OptionsInfo{Precision}f"</span><span class="cm">,</span> <span class="i">$FusedComparisonValue</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	220 207 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	221 208
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	222 209 <span class="k">return</span> <span class="i">$FusedComparisonValue</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	223 210 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	224 211
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	225 212 <span class="c"># Collect similarity results for individual reference and multiple references search...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	226 213 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	227 <a name="CollectSimilaritySearchResults-"></a> 214 <span class="k">sub </span><span class="m">CollectSimilaritySearchResults</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	228 215 <span class="k">my</span><span class="s">(</span><span class="i">$DatabaseFingerprintsFileIO</span><span class="cm">,</span> <span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$ComparisonValue</span><span class="cm">,</span> <span class="i">$ReferenceCmpdID</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	229 216
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	230 217 <span class="k">if</span> <span class="s">(</span><span class="k">defined</span> <span class="i">$ReferenceCmpdID</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	231 218 <span class="i">$SimilaritySearchResults</span>{<span class="i">$ReferenceCmpdID</span>}<span class="i">->AddKeyValuePair</span><span class="s">(</span><span class="i">$ComparisonValue</span><span class="cm">,</span> <span class="i">$DatabaseCmpdID</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	232 219 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	233 220 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	234 221 <span class="i">$SimilaritySearchResults</span>{<span class="w">ResultsPseudoHeap</span>}<span class="i">->AddKeyValuePair</span><span class="s">(</span><span class="i">$ComparisonValue</span><span class="cm">,</span> <span class="i">$DatabaseCmpdID</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	235 222 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	236 223
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	237 224 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">CollectInputFileData</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	238 225 <span class="i">CollectDatabaseFileData</span><span class="s">(</span><span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$DatabaseFingerprintsFileIO</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	239 226 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	240 227 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	241 228
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	242 229 <span class="c"># Initialize similarity results for individual or multiple reference molecules...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	243 230 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	244 <a name="InitializeSimilaritySearchResults-"></a> 231 <span class="k">sub </span><span class="m">InitializeSimilaritySearchResults</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	245 232 <span class="k">my</span><span class="s">(</span><span class="i">$ReferenceCmpdID</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	246 233
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	247 234 <span class="i">%SimilaritySearchResults</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	248 235
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	249 236 <span class="k">if</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">IndividualReferenceMode</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	250 237 <span class="k">for</span> <span class="i">$ReferenceCmpdID</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$SimilaritySearchInfo</span>{<span class="w">ReferenceCmpdIDsRef</span>}}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	251 238 <span class="i">$SimilaritySearchResults</span>{<span class="i">$ReferenceCmpdID</span>} = <span class="w">new</span> <span class="i">PseudoHeap</span><span class="s">(</span><span class="q">'Type'</span> <span class="cm">=></span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">KeepTop</span>} ? <span class="q">'KeepTopN'</span> <span class="co">:</span> <span class="q">'KeepBottomN'</span><span class="s">)</span><span class="cm">,</span> <span class="q">'KeyType'</span> <span class="cm">=></span> <span class="q">'Numeric'</span><span class="cm">,</span> <span class="q">'MaxSize'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="w">MaxSimilarMolecules</span>}<span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	252 239 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	253 240 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	254 241 <span class="k">elsif</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">MultipleReferencesMode</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	255 242 <span class="i">$SimilaritySearchResults</span>{<span class="w">ResultsPseudoHeap</span>} = <span class="w">new</span> <span class="i">PseudoHeap</span><span class="s">(</span><span class="q">'Type'</span> <span class="cm">=></span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">KeepTop</span>} ? <span class="q">'KeepTopN'</span> <span class="co">:</span> <span class="q">'KeepBottomN'</span><span class="s">)</span><span class="cm">,</span> <span class="q">'KeyType'</span> <span class="cm">=></span> <span class="q">'Numeric'</span><span class="cm">,</span> <span class="q">'MaxSize'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="w">MaxSimilarMolecules</span>}<span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	256 243 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	257 244
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	258 245 <span class="i">%DatabaseFingerprintsFileData</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	259 246 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	260 247
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	261 248 <span class="c"># Write out results SD and/or CSV/TSV text files for individual or multiple reference molecules...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	262 249 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	263 <a name="WriteSimilaritySearchResultFiles-"></a> 250 <span class="k">sub </span><span class="m">WriteSimilaritySearchResultFiles</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	264 251 <span class="k">my</span><span class="s">(</span><span class="i">$NewSDFileRef</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="cm">,</span> <span class="i">$ReferenceCmpdID</span><span class="cm">,</span> <span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$ComparisonValue</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	265 252
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	266 253 <span class="s">(</span><span class="i">$NewSDFileRef</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="s">)</span> = <span class="i">SetupAndOpenOutputFiles</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	267 254
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	268 255 <span class="k">if</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">IndividualReferenceMode</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	269 256 <span class="k">for</span> <span class="i">$ReferenceCmpdID</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$SimilaritySearchInfo</span>{<span class="w">ReferenceCmpdIDsRef</span>}}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	270 257 <span class="k">for</span> <span class="i">$ComparisonValue</span> <span class="s">(</span><span class="i">$SimilaritySearchResults</span>{<span class="i">$ReferenceCmpdID</span>}<span class="i">->GetSortedKeys</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	271 258 <span class="k">for</span> <span class="i">$DatabaseCmpdID</span> <span class="s">(</span><span class="i">$SimilaritySearchResults</span>{<span class="i">$ReferenceCmpdID</span>}<span class="i">->GetKeyValues</span><span class="s">(</span><span class="i">$ComparisonValue</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	272 259 <span class="i">WriteDataToOutputFiles</span><span class="s">(</span><span class="i">$NewSDFileRef</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="cm">,</span> <span class="i">$ComparisonValue</span><span class="cm">,</span> <span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$ReferenceCmpdID</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	273 260 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	274 261 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	275 262 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	276 263 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	277 264 <span class="k">elsif</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">MultipleReferencesMode</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	278 265 <span class="k">for</span> <span class="i">$ComparisonValue</span> <span class="s">(</span><span class="i">$SimilaritySearchResults</span>{<span class="w">ResultsPseudoHeap</span>}<span class="i">->GetSortedKeys</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	279 266 <span class="k">for</span> <span class="i">$DatabaseCmpdID</span> <span class="s">(</span><span class="i">$SimilaritySearchResults</span>{<span class="w">ResultsPseudoHeap</span>}<span class="i">->GetKeyValues</span><span class="s">(</span><span class="i">$ComparisonValue</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	280 267 <span class="i">WriteDataToOutputFiles</span><span class="s">(</span><span class="i">$NewSDFileRef</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="cm">,</span> <span class="i">$ComparisonValue</span><span class="cm">,</span> <span class="i">$DatabaseCmpdID</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	281 268 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	282 269 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	283 270 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	284 271
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	285 272 <span class="k">if</span> <span class="s">(</span><span class="i">$NewSDFileRef</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	286 273 <span class="k">close</span> <span class="i">$NewSDFileRef</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	287 274 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	288 275 <span class="k">if</span> <span class="s">(</span><span class="i">$NewTextFileRef</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	289 276 <span class="k">close</span> <span class="i">$NewTextFileRef</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	290 277 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	291 278 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	292 279
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	293 280 <span class="c"># Write individual reference or multiple references similarity results along with any other data to output files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	294 281 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	295 <a name="WriteDataToOutputFiles-"></a> 282 <span class="k">sub </span><span class="m">WriteDataToOutputFiles</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	296 283 <span class="k">my</span><span class="s">(</span><span class="i">$NewSDFileRef</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="cm">,</span> <span class="i">$ComparisonValue</span><span class="cm">,</span> <span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$ReferenceCmpdID</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	297 284
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	298 285 <span class="k">if</span> <span class="s">(</span><span class="i">$NewSDFileRef</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	299 286 <span class="i">WriteMolStringDataToSDOutputFile</span><span class="s">(</span><span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$NewSDFileRef</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	300 287 <span class="k">if</span> <span class="s">(</span><span class="k">defined</span> <span class="i">$ReferenceCmpdID</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	301 288 <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">"> <ReferenceCmpdID>\n$ReferenceCmpdID\n\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	302 289 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	303 290 <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">"> <DatabaseCmpdID>\n$DatabaseCmpdID\n\n> <ComparisonValue>\n$ComparisonValue\n\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	304 291 <span class="i">WriteDatabaseDataToSDOutputFile</span><span class="s">(</span><span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$NewSDFileRef</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	305 292 <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">"\$\$\$\$\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	306 293 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	307 294
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	308 295 <span class="k">if</span> <span class="s">(</span><span class="i">$NewTextFileRef</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	309 296 <span class="k">my</span><span class="s">(</span><span class="i">@LineWords</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	310 297
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	311 298 <span class="i">@LineWords</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	312 299 <span class="k">if</span> <span class="s">(</span><span class="k">defined</span> <span class="i">$ReferenceCmpdID</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	313 300 <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$ReferenceCmpdID</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	314 301 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	315 302 <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="s">(</span><span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$ComparisonValue</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	316 303
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	317 304 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputDataFields</span>} \|\| <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputDataCols</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	318 305 <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="i">RetrieveDatabaseDataForTextOutputFile</span><span class="s">(</span><span class="i">$DatabaseCmpdID</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	319 306 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	320 307 <span class="k">print</span> <span class="i">$NewTextFileRef</span> <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="cm">,</span> <span class="q">"\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	321 308 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	322 309 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	323 310
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	324 311 <span class="c"># Open output files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	325 312 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	326 <a name="SetupAndOpenOutputFiles-"></a> 313 <span class="k">sub </span><span class="m">SetupAndOpenOutputFiles</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	327 314 <span class="k">my</span><span class="s">(</span><span class="i">$NewSDFileRef</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="cm">,</span> <span class="i">$NewSDFile</span><span class="cm">,</span> <span class="i">$NewTextFile</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	328 315
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	329 316 <span class="s">(</span><span class="i">$NewSDFileRef</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="s">)</span> = <span class="s">(</span><span class="k">undef</span><span class="s">)</span> x <span class="n">2</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	330 317
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	331 318 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SDOutput</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	332 319 <span class="i">$NewSDFile</span> = <span class="i">$OutputFilesInfo</span>{<span class="w">SDOutFileName</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	333 320 <span class="k">print</span> <span class="q">"Generating SD file $NewSDFile...\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	334 321 <span class="k">open</span> <span class="w">NEWSDFILE</span><span class="cm">,</span> <span class="q">">$NewSDFile"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $NewSDFile: $! \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	335 322 <span class="i">$NewSDFileRef</span> = \<span class="i">*NEWSDFILE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	336 323 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	337 324
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	338 325 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">TextOutput</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	339 326 <span class="i">$NewTextFile</span> = <span class="i">$OutputFilesInfo</span>{<span class="w">TextOutFileName</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	340 327 <span class="k">print</span> <span class="q">"Generating text file $NewTextFile...\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	341 328 <span class="k">open</span> <span class="w">NEWTEXTFILE</span><span class="cm">,</span> <span class="q">">$NewTextFile"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $NewTextFile: $! \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	342 329 <span class="i">$NewTextFileRef</span> = \<span class="i">*NEWTEXTFILE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	343 330
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	344 331 <span class="i">WriteTextFileCoulmnLabels</span><span class="s">(</span>\<span class="i">*NEWTEXTFILE</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	345 332 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	346 333
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	347 334 <span class="k">return</span> <span class="s">(</span><span class="i">$NewSDFileRef</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	348 335 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	349 336
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	350 337 <span class="c"># Write out approriate column labels to text file...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	351 338 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	352 <a name="WriteTextFileCoulmnLabels-"></a> 339 <span class="k">sub </span><span class="m">WriteTextFileCoulmnLabels</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	353 340 <span class="k">my</span><span class="s">(</span><span class="i">$NewTextFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	354 341 <span class="k">my</span><span class="s">(</span><span class="i">$Line</span><span class="cm">,</span> <span class="i">@LineWords</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	355 342
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	356 343 <span class="i">@LineWords</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	357 344
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	358 345 <span class="k">if</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">IndividualReferenceMode</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	359 346 <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="q">qw(ReferenceCompoundID DatabaseCompoundID ComparisonValue)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	360 347 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	361 348 <span class="k">elsif</span> <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">MultipleReferencesMode</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	362 349 <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="q">qw(DatabaseCompoundID ComparisonValue)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	363 350 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	364 351
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	365 352 <span class="c"># Add columns for other database fingerprints file data to be written to output file...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	366 353 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputDataFields</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	367 354 <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataFieldsToOutput</span>}}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	368 355 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	369 356 <span class="k">elsif</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputDataCols</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	370 357 <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColLabelsToOutput</span>}}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	371 358 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	372 359
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	373 360 <span class="i">$Line</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	374 361 <span class="k">print</span> <span class="i">$NewTextFileRef</span> <span class="q">"$Line\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	375 362 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	376 363
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	377 364 <span class="c"># Write molecule string data to SD output file...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	378 365 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	379 <a name="WriteMolStringDataToSDOutputFile-"></a> 366 <span class="k">sub </span><span class="m">WriteMolStringDataToSDOutputFile</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	380 367 <span class="k">my</span><span class="s">(</span><span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$NewSDFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	381 368
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	382 369 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">CollectCmpdStringData</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	383 370 <span class="k">my</span><span class="s">(</span><span class="i">$MolString</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	384 371
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	385 372 <span class="s">(</span><span class="i">$MolString</span><span class="s">)</span> = <span class="k">split</span> <span class="q">/M END/</span><span class="cm">,</span> <span class="i">$DatabaseFingerprintsFileData</span>{<span class="i">$DatabaseCmpdID</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	386 373 <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">"$MolString\nM END\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	387 374 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	388 375 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	389 376 <span class="c"># Just write out an empty molecule data string...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	390 377 <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="i">SDFileUtil::GenerateEmptyCtabBlockLines</span><span class="s">(</span><span class="s">)</span><span class="cm">,</span> <span class="q">"\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	391 378 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	392 379 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	393 380
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	394 381 <span class="c"># Write database data from SD or Text database file to SD output file...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	395 382 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	396 <a name="WriteDatabaseDataToSDOutputFile-"></a> 383 <span class="k">sub </span><span class="m">WriteDatabaseDataToSDOutputFile</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	397 384 <span class="k">my</span><span class="s">(</span><span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$NewSDFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	398 385
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	399 386 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputDataFields</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	400 387 <span class="k">my</span><span class="s">(</span><span class="i">$DataFieldLabel</span><span class="cm">,</span> <span class="i">$DataFieldValue</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="cm">,</span> <span class="i">%DataFieldLabelAndValues</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	401 388
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	402 389 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">/\n/</span><span class="cm">,</span> <span class="i">$DatabaseFingerprintsFileData</span>{<span class="i">$DatabaseCmpdID</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	403 390 <span class="i">%DataFieldLabelAndValues</span> = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	404 391
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	405 392 <span class="k">for</span> <span class="i">$DataFieldLabel</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputCurrentDataFields</span>} ? <span class="i">GetCmpdDataHeaderLabels</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span> <span class="co">:</span> <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataFieldsToOutput</span>}}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	406 393 <span class="i">$DataFieldValue</span> = <span class="k">exists</span> <span class="i">$DataFieldLabelAndValues</span>{<span class="i">$DataFieldLabel</span>} ? <span class="i">$DataFieldLabelAndValues</span>{<span class="i">$DataFieldLabel</span>} <span class="co">:</span> <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	407 394 <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">"> <$DataFieldLabel>\n$DataFieldValue\n\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	408 395 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	409 396 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	410 397 <span class="k">elsif</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputDataCols</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	411 398 <span class="k">my</span><span class="s">(</span><span class="i">$DataColNum</span><span class="cm">,</span> <span class="i">$DataFieldLabel</span><span class="cm">,</span> <span class="i">$DataFieldValue</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	412 399
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	413 400 <span class="k">for</span> <span class="i">$DataColNum</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColNumsToOutput</span>}}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	414 401 <span class="i">$DataFieldLabel</span> = <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColNumToLabelMap</span>}{<span class="i">$DataColNum</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	415 402 <span class="i">$DataFieldValue</span> = <span class="i">$DatabaseFingerprintsFileData</span>{<span class="i">$DatabaseCmpdID</span>}->[<span class="i">$DataColNum</span>]<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	416 403 <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">"> <$DataFieldLabel>\n$DataFieldValue\n\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	417 404 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	418 405 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	419 406 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	420 407
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	421 408 <span class="c"># Retriebe database data from SD or Text database file for text output file...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	422 409 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	423 <a name="RetrieveDatabaseDataForTextOutputFile-"></a> 410 <span class="k">sub </span><span class="m">RetrieveDatabaseDataForTextOutputFile</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	424 411 <span class="k">my</span><span class="s">(</span><span class="i">$DatabaseCmpdID</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	425 412
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	426 413 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputDataFields</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	427 414 <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="cm">,</span> <span class="i">%DataFieldLabelAndValues</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	428 415
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	429 416 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">/\n/</span><span class="cm">,</span> <span class="i">$DatabaseFingerprintsFileData</span>{<span class="i">$DatabaseCmpdID</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	430 417 <span class="i">%DataFieldLabelAndValues</span> = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	431 418
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	432 419 <span class="k">return</span> <span class="k">map</span> <span class="s">{</span> <span class="k">exists</span> <span class="i">$DataFieldLabelAndValues</span>{<span class="i">$_</span>} ? <span class="i">$DataFieldLabelAndValues</span>{<span class="i">$_</span>} <span class="co">:</span> <span class="q">''</span><span class="s">}</span> <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataFieldsToOutput</span>}}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	433 420 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	434 421 <span class="k">elsif</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputDataCols</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	435 422 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$DatabaseFingerprintsFileData</span>{<span class="i">$DatabaseCmpdID</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	436 423 <span class="k">return</span> <span class="k">map</span> <span class="s">{</span> <span class="i">$DatabaseFingerprintsFileData</span>{<span class="i">$DatabaseCmpdID</span>}->[<span class="i">$_</span>] <span class="s">}</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColNumsToOutput</span>}}<span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	437 424 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	438 425 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	439 426 <span class="k">return</span> <span class="s">(</span><span class="q">''</span><span class="s">)</span> x <span class="i">$#</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColNumsToOutput</span>}}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	440 427 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	441 428 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	442 429 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	443 430
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	444 431 <span class="c"># Collect database file SD compound string or CSV/TSV data line for generating results</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	445 432 <span class="c"># files..</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	446 433 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	447 <a name="CollectDatabaseFileData-"></a> 434 <span class="k">sub </span><span class="m">CollectDatabaseFileData</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	448 435 <span class="k">my</span><span class="s">(</span><span class="i">$DatabaseCmpdID</span><span class="cm">,</span> <span class="i">$DatabaseFingerprintsFileIO</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	449 436
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	450 437 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$DatabaseFingerprintsFileData</span>{<span class="i">$DatabaseCmpdID</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	451 438 <span class="k">return</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	452 439 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	453 440
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	454 441 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">CollectCmpdStringData</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	455 442 <span class="i">$DatabaseFingerprintsFileData</span>{<span class="i">$DatabaseCmpdID</span>} = <span class="i">$DatabaseFingerprintsFileIO</span><span class="i">->GetCompoundString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	456 443 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	457 444
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	458 445 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">CollectDataLine</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	459 446 <span class="k">my</span><span class="s">(</span><span class="i">@DataLineWords</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	460 447 <span class="i">@DataLineWords</span> = <span class="i">$DatabaseFingerprintsFileIO</span><span class="i">->GetDataLineWords</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	461 448 <span class="i">$DatabaseFingerprintsFileData</span>{<span class="i">$DatabaseCmpdID</span>} = \<span class="i">@DataLineWords</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	462 449 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	463 450
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	464 451 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	465 452
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	466 453 <span class="c"># Read fingerprints data from reference fingerprints file...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	467 454 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	468 <a name="ReadReferenceFingerprintsData-"></a> 455 <span class="k">sub </span><span class="m">ReadReferenceFingerprintsData</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	469 456 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFileIO</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	470 457
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	471 458 <span class="i">$FingerprintsFileIO</span> = <span class="i">Fingerprints::FingerprintsFileUtil::NewFingerprintsFileIO</span><span class="s">(</span><span class="i">%</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FingerprintsFileIOParameters</span>}}<span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	472 459 <span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">ReferenceCmpdIDsRef</span>}<span class="cm">,</span> <span class="i">$SimilaritySearchInfo</span>{<span class="w">ReferenceFingerprintsObjectsRef</span>}<span class="s">)</span> = <span class="i">Fingerprints::FingerprintsFileUtil::ReadAndProcessFingerpritsData</span><span class="s">(</span><span class="i">$FingerprintsFileIO</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	473 460
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	474 461 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	475 462
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	476 463 <span class="c"># Retrieve information about fingerprints files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	477 464 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	478 <a name="RetrieveFingerprintsFilesInfo-"></a> 465 <span class="k">sub </span><span class="m">RetrieveFingerprintsFilesInfo</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	479 466
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	480 467 <span class="i">%FingerprintsFilesInfo</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	481 468 <span class="i">%OutputFilesInfo</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	482 469 <span class="i">%SimilaritySearchInfo</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	483 470
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	484 471 <span class="i">%</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	485 472 <span class="i">%</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	486 473
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	487 474 <span class="c"># Set up reference and database file names...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	488 475 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FileName</span>} = <span class="i">$FingerprintsFilesList</span>[<span class="n">0</span>]<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	489 476 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">FileName</span>} = <span class="i">$FingerprintsFilesList</span>[<span class="n">1</span>]<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	490 477
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	491 478 <span class="c"># Retrieve information about reference and database fingerprints file...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	492 479 <span class="i">RetrieveReferenceFingerprintsFileInfo</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	493 480 <span class="i">RetrieveDatabaseFingerprintsFileInfo</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	494 481
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	495 482 <span class="c"># Setup fingerprints comparison method and associated method parameters...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	496 483 <span class="i">SetupReferenceAndDatabaseFingerprintsComparisonInfo</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	497 484
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	498 485 <span class="c"># Retrieve information for output files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	499 486 <span class="i">RetrieveOutputFilesInfo</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	500 487 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	501 488
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	502 489 <span class="c"># Setup refrerence and database fingerprints comparison method and associated method parameters...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	503 490 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	504 <a name="SetupReferenceAndDatabaseFingerprintsComparisonInfo-"></a> 491 <span class="k">sub </span><span class="m">SetupReferenceAndDatabaseFingerprintsComparisonInfo</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	505 492
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	506 493 <span class="c"># Make sure reference and database fingerprints string match...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	507 494 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FirstFingerprintsStringType</span>} !~ <span class="q">/^$FingerprintsFilesInfo{Database}{FirstFingerprintsStringType}$/i</span><span class="s">)</span> \|\|
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	508 495 <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FingerprintsBitVectorStringMode</span>} != <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">FingerprintsBitVectorStringMode</span>}<span class="s">)</span> \|\|
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	509 496 <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FingerprintsVectorStringMode</span>} != <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> <span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	510 497 <span class="k">die</span> <span class="q">"Error: First reference fingerprints string type, $FingerprintsFilesInfo{Reference}{FirstFingerprintsStringType}, must match first database fingerprints type, $FingerprintsFilesInfo{Database}{FirstFingerprintsStringType}.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	511 498 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	512 499
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	513 500 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FirstFingerprintsStringDescription</span>} !~ <span class="q">/^$FingerprintsFilesInfo{Database}{FirstFingerprintsStringDescription}$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	514 501 <span class="k">warn</span> <span class="q">"Warning: First reference fingerprints string description, $FingerprintsFilesInfo{Reference}{FirstFingerprintsStringDescription}, doesn't match first database fingerprints string description, $FingerprintsFilesInfo{Database}{FirstFingerprintsStringDescription}.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	515 502 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	516 503
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	517 504 <span class="c"># Setup individual reference and multiple references search mode...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	518 505 <span class="i">$SimilaritySearchInfo</span>{<span class="w">IndividualReferenceMode</span>} = <span class="k">undef</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	519 506 <span class="i">$SimilaritySearchInfo</span>{<span class="w">MultipleReferencesMode</span>} = <span class="k">undef</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	520 507
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	521 508 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^IndividualReference$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	522 509 <span class="i">$SimilaritySearchInfo</span>{<span class="w">IndividualReferenceMode</span>} = <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	523 510 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	524 511 <span class="k">elsif</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^MultipleReferences$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	525 512 <span class="i">$SimilaritySearchInfo</span>{<span class="w">MultipleReferencesMode</span>} = <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	526 513 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	527 514 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	528 515 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{mode}, for option \"-m, --mode\" is not valid. Allowed values: IndividualReference, MultipleReferences\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	529 516 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	530 517
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	531 518 <span class="c"># Set up reference and database fingerprints similarity search method and paramaters...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	532 519 <span class="k">my</span><span class="s">(</span><span class="i">$ComparisonMeasure</span><span class="cm">,</span> <span class="i">$ComparisonMethod</span><span class="cm">,</span> <span class="i">$ApplyComparisonCutoff</span><span class="cm">,</span> <span class="i">$ComparisonCutoff</span><span class="cm">,</span> <span class="i">$KeepTop</span><span class="cm">,</span> <span class="i">@ComparisonMethodParameters</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	533 520
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	534 521 <span class="i">$SimilaritySearchInfo</span>{<span class="w">ComparisonMethod</span>} = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	535 522 <span class="i">@</span>{<span class="i">$SimilaritySearchInfo</span>{<span class="w">ComparisonMethodParameters</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	536 523
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	537 524 <span class="i">$SimilaritySearchInfo</span>{<span class="w">ComparisonCutoff</span>} = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	538 525 <span class="i">$SimilaritySearchInfo</span>{<span class="w">KeepTop</span>} = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	539 526
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	540 527 <span class="i">$ComparisonMeasure</span> = <span class="q">''</span><span class="sc">;</span> <span class="i">$ComparisonMethod</span> = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	541 528 <span class="i">@ComparisonMethodParameters</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	542 529
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	543 530 <span class="j">FINGERPRINTSTYPE:</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	544 531 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FingerprintsBitVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	545 532 <span class="i">$ComparisonMeasure</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedBitVectorComparisonMeasure</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	546 533 <span class="i">$ComparisonMethod</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedBitVectorComparisonMeasureMethod</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	547 534
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	548 535 <span class="k">if</span> <span class="s">(</span><span class="i">$ComparisonMeasure</span> =~ <span class="q">/^TverskySimilarity$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	549 536 <span class="k">push</span> <span class="i">@ComparisonMethodParameters</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">Alpha</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	550 537 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	551 538 <span class="k">elsif</span> <span class="s">(</span><span class="i">$ComparisonMeasure</span> =~ <span class="q">/^WeightedTverskySimilarity$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	552 539 <span class="k">push</span> <span class="i">@ComparisonMethodParameters</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">Alpha</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	553 540 <span class="k">push</span> <span class="i">@ComparisonMethodParameters</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">Beta</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	554 541 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	555 542 <span class="k">elsif</span> <span class="s">(</span><span class="i">$ComparisonMeasure</span> =~ <span class="q">/^WeightedTanimotoSimilarity$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	556 543 <span class="k">push</span> <span class="i">@ComparisonMethodParameters</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">Beta</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	557 544 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	558 545
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	559 546 <span class="k">last</span> <span class="j">FINGERPRINTSTYPE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	560 547 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	561 548 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	562 549 <span class="k">my</span><span class="s">(</span><span class="i">$SkipValuesCheck</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	563 550
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	564 551 <span class="i">$ComparisonMeasure</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedVectorComparisonMeasure</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	565 552 <span class="i">$ComparisonMethod</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedVectorComparisonMeasuresMethod</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	566 553
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	567 554 <span class="k">push</span> <span class="i">@ComparisonMethodParameters</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedVectorComparisonMode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	568 555
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	569 556 <span class="i">$SkipValuesCheck</span> = <span class="i">$OptionsInfo</span>{<span class="w">Fast</span>} ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	570 557 <span class="k">push</span> <span class="i">@ComparisonMethodParameters</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	571 558
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	572 559 <span class="k">last</span> <span class="j">FINGERPRINTSTYPE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	573 560 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	574 561 <span class="k">die</span> <span class="q">"Error: Uknown fingerprints string type. Supported values: FingerprintsBitVectorString or FingerprintsVectorString.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	575 562 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	576 563
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	577 564 <span class="i">$ApplyComparisonCutoff</span> = <span class="i">$SimilaritySearchInfo</span>{<span class="w">IndividualReferenceMode</span>} ? <span class="n">1</span> <span class="co">:</span> <span class="s">(</span><span class="s">(</span><span class="i">$SimilaritySearchInfo</span>{<span class="w">MultipleReferencesMode</span>} && <span class="i">$OptionsInfo</span>{<span class="w">GroupFusionApplyCutoff</span>}<span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	578 565
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	579 566 <span class="i">$ComparisonCutoff</span> = <span class="q">''</span><span class="sc">;</span> <span class="i">$KeepTop</span> = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	580 567 <span class="k">if</span> <span class="s">(</span><span class="i">$ComparisonMethod</span> =~ <span class="q">/Distance/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	581 568 <span class="i">$ComparisonCutoff</span> = <span class="i">$OptionsInfo</span>{<span class="w">DistanceCutoff</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	582 569 <span class="i">$KeepTop</span> = <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SearchMode</span>} =~ <span class="q">/^SimilaritySearch$/i</span><span class="s">)</span> ? <span class="n">0</span> <span class="co">:</span> <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	583 570 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	584 571 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	585 572 <span class="i">$ComparisonCutoff</span> = <span class="i">$OptionsInfo</span>{<span class="w">SimilarityCutoff</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	586 573 <span class="i">$KeepTop</span> = <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SearchMode</span>} =~ <span class="q">/^SimilaritySearch$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	587 574 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	588 575
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	589 576 <span class="i">$SimilaritySearchInfo</span>{<span class="w">ComparisonMethod</span>} = <span class="i">$ComparisonMethod</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	590 577 <span class="i">@</span>{<span class="i">$SimilaritySearchInfo</span>{<span class="w">ComparisonMethodParameters</span>}} = <span class="i">@ComparisonMethodParameters</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	591 578
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	592 579 <span class="i">$SimilaritySearchInfo</span>{<span class="w">ComparisonCutoff</span>} = <span class="i">$ComparisonCutoff</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	593 580 <span class="i">$SimilaritySearchInfo</span>{<span class="w">KeepTop</span>} = <span class="i">$KeepTop</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	594 581 <span class="i">$SimilaritySearchInfo</span>{<span class="w">ApplyComparisonCutoff</span>} = <span class="i">$ApplyComparisonCutoff</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	595 582
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	596 583 <span class="c"># Setup references to group fusion methods...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	597 584 <span class="i">$SimilaritySearchInfo</span>{<span class="w">GroupFusionMethodRef</span>} = <span class="k">undef</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	598 585 <span class="i">$SimilaritySearchInfo</span>{<span class="w">ApplyPrecisionDuringFusion</span>} = <span class="k">undef</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	599 586
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	600 587 <span class="j">FUSIONRULE:</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	601 588 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">GroupFusionRule</span>} =~ <span class="q">/^Max$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	602 589 <span class="c"># It's always the first value in the appropriated sorted list using value of KeepTop...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	603 590 <span class="i">$SimilaritySearchInfo</span>{<span class="w">GroupFusionMethodRef</span>} = <span class="k">sub</span> <span class="s">{</span> <span class="k">my</span><span class="s">(</span><span class="i">$ComparisonValuesRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> <span class="k">return</span> <span class="i">$ComparisonValuesRef</span>->[<span class="n">0</span>]<span class="sc">;</span> <span class="s">}</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	604 591 <span class="k">last</span> <span class="j">FUSIONRULE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	605 592 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	606 593 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">GroupFusionRule</span>} =~ <span class="q">/^Min$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	607 594 <span class="c"># It's always the last value in the appropriated sorted list using value of KeepTop...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	608 595 <span class="i">$SimilaritySearchInfo</span>{<span class="w">GroupFusionMethodRef</span>} = <span class="k">sub</span> <span class="s">{</span> <span class="k">my</span><span class="s">(</span><span class="i">$ComparisonValuesRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> <span class="k">return</span> <span class="i">$ComparisonValuesRef</span>->[<span class="i">$#</span>{<span class="i">$ComparisonValuesRef</span>}]<span class="sc">;</span> <span class="s">}</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	609 596 <span class="k">last</span> <span class="j">FUSIONRULE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	610 597 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	611 598 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">GroupFusionRule</span>} =~ <span class="q">/^Mean$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	612 599 <span class="i">$SimilaritySearchInfo</span>{<span class="w">GroupFusionMethodRef</span>} = \<span class="i">&StatisticsUtil::Mean</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	613 600 <span class="i">$SimilaritySearchInfo</span>{<span class="w">ApplyPrecisionDuringFusion</span>} = <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	614 601 <span class="k">last</span> <span class="j">FUSIONRULE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	615 602 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	616 603 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">GroupFusionRule</span>} =~ <span class="q">/^Median$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	617 604 <span class="i">$SimilaritySearchInfo</span>{<span class="w">GroupFusionMethodRef</span>} = \<span class="i">&StatisticsUtil::Median</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	618 605 <span class="i">$SimilaritySearchInfo</span>{<span class="w">ApplyPrecisionDuringFusion</span>} = <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	619 606 <span class="k">last</span> <span class="j">FUSIONRULE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	620 607 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	621 608 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">GroupFusionRule</span>} =~ <span class="q">/^Sum$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	622 609 <span class="i">$SimilaritySearchInfo</span>{<span class="w">GroupFusionMethodRef</span>} = \<span class="i">&StatisticsUtil::Sum</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	623 610 <span class="i">$SimilaritySearchInfo</span>{<span class="w">ApplyPrecisionDuringFusion</span>} = <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	624 611 <span class="k">last</span> <span class="j">FUSIONRULE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	625 612 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	626 613 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">GroupFusionRule</span>} =~ <span class="q">/^Euclidean$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	627 614 <span class="i">$SimilaritySearchInfo</span>{<span class="w">GroupFusionMethodRef</span>} = \<span class="i">&StatisticsUtil::Euclidean</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	628 615 <span class="i">$SimilaritySearchInfo</span>{<span class="w">ApplyPrecisionDuringFusion</span>} = <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	629 616 <span class="k">last</span> <span class="j">FUSIONRULE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	630 617 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	631 618 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{groupfusionrule}, for option \"-g, --GroupFusionRule\" is not valid. Allowed values: Max, Min, Mean, Median, Sum, Euclidean\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	632 619 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	633 620
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	634 621 <span class="i">$SimilaritySearchInfo</span>{<span class="w">UsekNN</span>} = <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">kNN</span>} !~ <span class="q">/^All$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	635 622 <span class="i">$SimilaritySearchInfo</span>{<span class="w">SortComparisonValues</span>} = <span class="s">(</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">GroupFusionRule</span>} =~ <span class="q">/^(Max\|Min)$/i</span><span class="s">)</span> \|\| <span class="i">$SimilaritySearchInfo</span>{<span class="w">UsekNN</span>}<span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	636 623 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	637 624
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	638 625 <span class="c"># Retrieve information about reference fingerprints file...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	639 626 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	640 <a name="RetrieveReferenceFingerprintsFileInfo-"></a> 627 <span class="k">sub </span><span class="m">RetrieveReferenceFingerprintsFileInfo</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	641 628 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="cm">,</span> <span class="i">$FileType</span><span class="cm">,</span> <span class="i">$InDelim</span><span class="cm">,</span> <span class="i">$FingerprintsFileIO</span><span class="cm">,</span> <span class="i">$FingerprintsStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsBitVectorStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsVectorStringMode</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringType</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringDescription</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	642 629
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	643 630 <span class="i">$FingerprintsFile</span> = <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FileName</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	644 631 <span class="s">(</span><span class="i">$FileType</span><span class="cm">,</span> <span class="i">$InDelim</span><span class="s">)</span> = <span class="i">RetrieveFingerprintsFileInfo</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	645 632
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	646 633 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FileType</span>} = <span class="i">$FileType</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	647 634 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">InDelim</span>} = <span class="i">$InDelim</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	648 635
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	649 636 <span class="c"># Setup reference FingerprintsFileIO parameters...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	650 637 <span class="i">%</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FingerprintsFileIOParameters</span>}} = <span class="i">RetrieveFingerprintsFileIOParameters</span><span class="s">(</span><span class="q">'Reference'</span><span class="cm">,</span> <span class="i">$FileType</span><span class="cm">,</span> <span class="i">$FingerprintsFile</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	651 638
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	652 639 <span class="c"># Make sure reference fingerprints data file contains valid and retrieve fingerprints string mode information...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	653 640 <span class="s">(</span><span class="i">$FingerprintsStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsBitVectorStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsVectorStringMode</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringType</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringDescription</span><span class="s">)</span> = <span class="i">RetrieveFingerprintsFileFingerprintsStringInfo</span><span class="s">(</span><span class="q">'Reference'</span><span class="cm">,</span> <span class="i">$FingerprintsFile</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	654 641 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FingerprintsStringMode</span>} = <span class="i">$FingerprintsStringMode</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	655 642 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="i">$FingerprintsBitVectorStringMode</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	656 643 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FingerprintsVectorStringMode</span>} = <span class="i">$FingerprintsVectorStringMode</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	657 644 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FirstFingerprintsStringType</span>} = <span class="i">$FirstFingerprintsStringType</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	658 645 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FirstFingerprintsStringDescription</span>} = <span class="i">$FirstFingerprintsStringDescription</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	659 646
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	660 647 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	661 648
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	662 649 <span class="c"># Retrieve information about database fingerprints file...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	663 650 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	664 <a name="RetrieveDatabaseFingerprintsFileInfo-"></a> 651 <span class="k">sub </span><span class="m">RetrieveDatabaseFingerprintsFileInfo</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	665 652 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="cm">,</span> <span class="i">$FileType</span><span class="cm">,</span> <span class="i">$InDelim</span><span class="cm">,</span> <span class="i">$FingerprintsFileIO</span><span class="cm">,</span> <span class="i">$FingerprintsStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsBitVectorStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsVectorStringMode</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringType</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringDescription</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	666 653
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	667 654 <span class="i">$FingerprintsFile</span> = <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">FileName</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	668 655 <span class="s">(</span><span class="i">$FileType</span><span class="cm">,</span> <span class="i">$InDelim</span><span class="s">)</span> = <span class="i">RetrieveFingerprintsFileInfo</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	669 656
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	670 657 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">FileType</span>} = <span class="i">$FileType</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	671 658 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">InDelim</span>} = <span class="i">$InDelim</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	672 659
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	673 660 <span class="c"># Setup reference FingerprintsFileIO parameters...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	674 661 <span class="i">%</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">FingerprintsFileIOParameters</span>}} = <span class="i">RetrieveFingerprintsFileIOParameters</span><span class="s">(</span><span class="q">'Database'</span><span class="cm">,</span> <span class="i">$FileType</span><span class="cm">,</span> <span class="i">$FingerprintsFile</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	675 662
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	676 663 <span class="c"># Make sure database fingerprints data file contains valid and retrieve fingerprints string mode information...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	677 664 <span class="s">(</span><span class="i">$FingerprintsStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsBitVectorStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsVectorStringMode</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringType</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringDescription</span><span class="s">)</span> = <span class="i">RetrieveFingerprintsFileFingerprintsStringInfo</span><span class="s">(</span><span class="q">'Database'</span><span class="cm">,</span> <span class="i">$FingerprintsFile</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	678 665 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">FingerprintsStringMode</span>} = <span class="i">$FingerprintsStringMode</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	679 666 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="i">$FingerprintsBitVectorStringMode</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	680 667 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">FingerprintsVectorStringMode</span>} = <span class="i">$FingerprintsVectorStringMode</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	681 668 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">FirstFingerprintsStringType</span>} = <span class="i">$FirstFingerprintsStringType</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	682 669 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">FirstFingerprintsStringDescription</span>} = <span class="i">$FirstFingerprintsStringDescription</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	683 670
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	684 671 <span class="c"># Retrieve database fingerprints data field information for output file...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	685 672 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	686 673 <span class="i">RetrieveDatabaseFingerprintsDataFieldsInfo</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="cm">,</span> <span class="i">$FileType</span><span class="cm">,</span> <span class="i">$InDelim</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	687 674
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	688 675 <span class="c"># Retrieve database fingerprints text file data columns information for output file...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	689 676 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	690 677 <span class="i">RetrieveDatabaseFingerprintsDataColsInfo</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="cm">,</span> <span class="i">$FileType</span><span class="cm">,</span> <span class="i">$InDelim</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	691 678
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	692 679 <span class="c"># Any need to collect database compound string or data line for generation of results files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	693 680 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">CollectCmpdStringData</span>} = <span class="s">(</span><span class="i">$FileType</span> =~ <span class="q">/^SD$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	694 681 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">CollectDataLine</span>} = <span class="s">(</span><span class="i">$FileType</span> =~ <span class="q">/^Text$/i</span> && <span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataColsMode</span>} =~ <span class="q">/^(All\|Specify)$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	695 682 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">CollectInputFileData</span>} = <span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">CollectCmpdStringData</span>} \|\| <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">CollectDataLine</span>}<span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	696 683
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	697 684 <span class="c"># Set maximum number of similar compounds to find for individual reference of set of multiple</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	698 685 <span class="c"># reference compounds...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	699 686 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	700 687 <span class="i">SetMaximumSimilarMoleculesToRetrieve</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="cm">,</span> <span class="i">$FileType</span><span class="cm">,</span> <span class="i">$InDelim</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	701 688 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	702 689
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	703 690 <span class="c"># Retrieve database fingerprints data field information...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	704 691 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	705 <a name="RetrieveDatabaseFingerprintsDataFieldsInfo-"></a> 692 <span class="k">sub </span><span class="m">RetrieveDatabaseFingerprintsDataFieldsInfo</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	706 693 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="cm">,</span> <span class="i">$FileType</span><span class="cm">,</span> <span class="i">$InDelim</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	707 694 <span class="k">my</span><span class="s">(</span><span class="i">$CollectDataFields</span><span class="cm">,</span> <span class="i">$CmpdCount</span><span class="cm">,</span> <span class="i">$AllDataFieldsRef</span><span class="cm">,</span> <span class="i">$CommonDataFieldsRef</span><span class="cm">,</span> <span class="i">@DataFieldsToOutput</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	708 695
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	709 696 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputDataFields</span>} = <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	710 697 <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataFieldsToOutput</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	711 698
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	712 699 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputCurrentDataFields</span>} = <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	713 700
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	714 701 <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">AllDataFields</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	715 702 <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">CommonDataFields</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	716 703 <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">SpecifiedDatabaseDataFields</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	717 704
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	718 705 <span class="k">if</span> <span class="s">(</span><span class="i">$FileType</span> !~ <span class="q">/^SD$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	719 706 <span class="k">return</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	720 707 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	721 708
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	722 709 <span class="c"># No need to go over SD file and collect data fields for SD file during All DatabaseDataFieldsMode as</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	723 710 <span class="c"># they would be retrieved from database SD file compound string during generation of output files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	724 711 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	725 712 <span class="i">$CollectDataFields</span> = <span class="s">(</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">TextOutput</span>} && <span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataFieldsMode</span>} =~ <span class="q">/^(All\|Common)$/i</span><span class="s">)</span> \|\| <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SDOutput</span>} && <span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataFieldsMode</span>} =~ <span class="q">/^Common$/i</span><span class="s">)</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	726 713
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	727 714 <span class="s">(</span><span class="i">$CmpdCount</span><span class="cm">,</span> <span class="i">$AllDataFieldsRef</span><span class="cm">,</span> <span class="i">$CommonDataFieldsRef</span><span class="s">)</span> = <span class="s">(</span><span class="k">undef</span><span class="s">)</span> x <span class="n">2</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	728 715
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	729 716 <span class="k">if</span> <span class="s">(</span><span class="i">$CollectDataFields</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	730 717 <span class="k">open</span> <span class="w">SDFILE</span><span class="cm">,</span> <span class="q">"$FingerprintsFile"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $FingerprintsFile: $! \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	731 718 <span class="s">(</span><span class="i">$CmpdCount</span><span class="cm">,</span> <span class="i">$AllDataFieldsRef</span><span class="cm">,</span> <span class="i">$CommonDataFieldsRef</span><span class="s">)</span> = <span class="i">GetAllAndCommonCmpdDataHeaderLabels</span><span class="s">(</span>\<span class="i">*SDFILE</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	732 719 <span class="k">close</span> <span class="w">SDFILE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	733 720 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	734 721
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	735 722 <span class="i">@DataFieldsToOutput</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	736 723 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataFieldsMode</span>} =~ <span class="q">/^All$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	737 724 <span class="k">if</span> <span class="s">(</span><span class="k">defined</span> <span class="i">$AllDataFieldsRef</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	738 725 <span class="k">push</span> <span class="i">@DataFieldsToOutput</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$AllDataFieldsRef</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	739 726 <span class="k">push</span> <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">AllDataFields</span>}}<span class="cm">,</span> <span class="i">@</span>{<span class="i">$AllDataFieldsRef</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	740 727 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	741 728 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	742 729 <span class="c"># Retrieve and output data fields and values dynamically...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	743 730 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputCurrentDataFields</span>} = <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	744 731 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	745 732 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	746 733 <span class="k">elsif</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataFieldsMode</span>} =~ <span class="q">/^Common$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	747 734 <span class="k">if</span> <span class="s">(</span><span class="k">defined</span> <span class="i">$CommonDataFieldsRef</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	748 735 <span class="k">push</span> <span class="i">@DataFieldsToOutput</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$CommonDataFieldsRef</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	749 736 <span class="k">push</span> <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">CommonDataFields</span>}}<span class="cm">,</span> <span class="i">@</span>{<span class="i">$CommonDataFieldsRef</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	750 737 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	751 738 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	752 739 <span class="k">elsif</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataFieldsMode</span>} =~ <span class="q">/^Specify$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	753 740 <span class="k">push</span> <span class="i">@DataFieldsToOutput</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDatabaseDataFields</span>}}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	754 741 <span class="k">push</span> <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">SpecifiedDatabaseDataFields</span>}}<span class="cm">,</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDatabaseDataFields</span>}}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	755 742 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	756 743
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	757 744 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataFieldsMode</span>} !~ <span class="q">/^CompoundID$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	758 745 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputDataFields</span>} = <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	759 746 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	760 747
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	761 748 <span class="k">push</span> <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataFieldsToOutput</span>}}<span class="cm">,</span> <span class="i">@DataFieldsToOutput</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	762 749
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	763 750 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	764 751
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	765 752 <span class="c"># Retrieve database fingerprints data columns information...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	766 753 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	767 <a name="RetrieveDatabaseFingerprintsDataColsInfo-"></a> 754 <span class="k">sub </span><span class="m">RetrieveDatabaseFingerprintsDataColsInfo</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	768 755 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="cm">,</span> <span class="i">$FileType</span><span class="cm">,</span> <span class="i">$InDelim</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	769 756 <span class="k">my</span><span class="s">(</span><span class="i">$Line</span><span class="cm">,</span> <span class="i">$ColNum</span><span class="cm">,</span> <span class="i">$ColLabel</span><span class="cm">,</span> <span class="i">$NumOfCols</span><span class="cm">,</span> <span class="i">@DataColLabels</span><span class="cm">,</span> <span class="i">@DataColLabelsToOutput</span><span class="cm">,</span> <span class="i">@DataColNumsToOutput</span><span class="cm">,</span> <span class="i">%DataColLabelToNumMap</span><span class="cm">,</span> <span class="i">%DataColNumToLabelMap</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	770 757
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	771 758 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputDataCols</span>} = <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	772 759
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	773 760 <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	774 761 <span class="i">%</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColLabelToNumMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	775 762 <span class="i">%</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColNumToLabelMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	776 763
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	777 764 <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColNumsToOutput</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	778 765 <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColLabelsToOutput</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	779 766
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	780 767 <span class="k">if</span> <span class="s">(</span><span class="i">$FileType</span> !~ <span class="q">/^Text$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	781 768 <span class="k">return</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	782 769 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	783 770
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	784 771 <span class="i">@DataColLabels</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	785 772 <span class="i">@DataColLabelsToOutput</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	786 773 <span class="i">@DataColNumsToOutput</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	787 774
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	788 775 <span class="i">%DataColLabelToNumMap</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	789 776 <span class="i">%DataColNumToLabelMap</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	790 777
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	791 778 <span class="c"># Get column label line...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	792 779 <span class="k">open</span> <span class="w">TEXTFILE</span><span class="cm">,</span> <span class="q">"$FingerprintsFile"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $FingerprintsFile: $! \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	793 780 <span class="i">$Line</span> = <span class="i">TextUtil::GetTextLine</span><span class="s">(</span>\<span class="i">*TEXTFILE</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	794 781 <span class="k">close</span> <span class="w">TEXTFILE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	795 782
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	796 783 <span class="i">$InDelim</span> = <span class="s">(</span><span class="i">$InDelim</span> =~ <span class="q">/^Tab$/i</span><span class="s">)</span> ? <span class="q">"\t"</span> <span class="co">:</span> <span class="s">(</span><span class="i">$InDelim</span> =~ <span class="q">/semicolon/i</span> ? <span class="q">"\;"</span> <span class="co">:</span> <span class="q">"\,"</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	797 784
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	798 785 <span class="i">@DataColLabels</span> = <span class="i">TextUtil::SplitWords</span><span class="s">(</span><span class="i">$Line</span><span class="cm">,</span> <span class="i">$InDelim</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	799 786 <span class="i">$NumOfCols</span> = <span class="k">scalar</span> <span class="i">@DataColLabels</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	800 787
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	801 788 <span class="k">for</span> <span class="i">$ColNum</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#DataColLabels</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	802 789 <span class="i">$ColLabel</span> = <span class="i">$DataColLabels</span>[<span class="i">$ColNum</span>]<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	803 790 <span class="i">$DataColLabelToNumMap</span>{<span class="i">$ColLabel</span>} = <span class="i">$ColNum</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	804 791 <span class="i">$DataColNumToLabelMap</span>{<span class="i">$ColNum</span>} = <span class="i">$ColLabel</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	805 792 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	806 793
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	807 794 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataColsMode</span>} =~ <span class="q">/^Specify$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	808 795 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">DatabaseColMode</span>} =~ <span class="q">/^ColNum$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	809 796 <span class="k">for</span> <span class="i">$ColNum</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDatabaseDataCols</span>}}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	810 797 <span class="k">if</span> <span class="s">(</span><span class="i">$ColNum</span> > <span class="i">$NumOfCols</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	811 798 <span class="k">die</span> <span class="q">"Error: Column number, $ColNum, specified using \"--DatabaseDataCols\" is not valid: It must be <= $NumOfCols\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	812 799 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	813 800 <span class="k">push</span> <span class="i">@DataColNumsToOutput</span><span class="cm">,</span> <span class="s">(</span><span class="i">$ColNum</span> - <span class="n">1</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	814 801 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	815 802 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	816 803 <span class="k">elsif</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">DatabaseColMode</span>} =~ <span class="q">/^ColLabel$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	817 804 <span class="k">for</span> <span class="i">$ColLabel</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDatabaseDataCols</span>}}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	818 805 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$DataColLabelToNumMap</span>{<span class="i">$ColLabel</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	819 806 <span class="k">die</span> <span class="q">"Error: Column label, $ColLabel, specified using \"--DatabaseDataCols\" is not valid: It doesn't exist\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	820 807 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	821 808 <span class="k">push</span> <span class="i">@DataColNumsToOutput</span><span class="cm">,</span> <span class="i">$DataColLabelToNumMap</span>{<span class="i">$ColLabel</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	822 809 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	823 810 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	824 811 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	825 812 <span class="k">elsif</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataColsMode</span>} =~ <span class="q">/^All$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	826 813 <span class="i">@DataColNumsToOutput</span> = <span class="k">map</span> <span class="s">{</span> <span class="i">$_</span> <span class="s">}</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#DataColLabels</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	827 814 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	828 815
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	829 816 <span class="c"># Setup data column labels to output...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	830 817 <span class="k">if</span> <span class="s">(</span><span class="k">scalar</span> <span class="i">@DataColNumsToOutput</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	831 818 <span class="i">@DataColLabelsToOutput</span> = <span class="k">map</span> <span class="s">{</span> <span class="i">$DataColNumToLabelMap</span>{<span class="i">$_</span>} <span class="s">}</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#DataColNumsToOutput</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	832 819 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	833 820
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	834 821 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">OutputDataCols</span>} = <span class="k">scalar</span> <span class="i">@DataColNumsToOutput</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	835 822
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	836 823 <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColLabels</span>}} = <span class="i">@DataColLabels</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	837 824 <span class="i">%</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColLabelToNumMap</span>}} = <span class="i">%DataColLabelToNumMap</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	838 825 <span class="i">%</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColNumToLabelMap</span>}} = <span class="i">%DataColNumToLabelMap</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	839 826
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	840 827 <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColNumsToOutput</span>}} = <span class="i">@DataColNumsToOutput</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	841 828 <span class="i">@</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">DataColLabelsToOutput</span>}} = <span class="i">@DataColLabelsToOutput</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	842 829 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	843 830
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	844 831 <span class="c"># Set maximum number of similar compounds to find for individual reference of set of multiple</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	845 832 <span class="c"># reference compounds...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	846 833 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	847 <a name="SetMaximumSimilarMoleculesToRetrieve-"></a> 834 <span class="k">sub </span><span class="m">SetMaximumSimilarMoleculesToRetrieve</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	848 835 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="cm">,</span> <span class="i">$FileType</span><span class="cm">,</span> <span class="i">$InDelim</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	849 836 <span class="k">my</span><span class="s">(</span><span class="i">$MaxSimilarMolecules</span><span class="cm">,</span> <span class="i">$NumOfDatabaseMolecules</span><span class="cm">,</span> <span class="i">$PercentSimilarMolecules</span><span class="cm">,</span> <span class="i">$Line</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	850 837
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	851 838 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SimilarCountMode</span>} !~ <span class="q">/^PercentSimilar$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	852 839 <span class="k">return</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	853 840 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	854 841
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	855 842 <span class="i">$PercentSimilarMolecules</span> = <span class="i">$OptionsInfo</span>{<span class="w">PercentSimilarMolecules</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	856 843
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	857 844 <span class="c"># Count database entries to figure out MaxSimilarMolecules using PercentSimilarMolecules</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	858 845 <span class="c"># value...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	859 846 <span class="i">$NumOfDatabaseMolecules</span> = <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	860 847 <span class="k">if</span> <span class="s">(</span><span class="i">$FileType</span> =~ <span class="q">/^SD$/i</span> && <span class="k">exists</span><span class="s">(</span><span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">NumOfDatabaseMolecules</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	861 848 <span class="c"># It might already be counted for SD file...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	862 849 <span class="i">$NumOfDatabaseMolecules</span> = <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">NumOfDatabaseMolecules</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	863 850 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	864 851 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	865 852 <span class="k">print</span> <span class="q">"Calculating maximum number of similar molecules to retrieve for \"PercentSimilar\" value of \"--SimilarCountMode\" option by counting number of molecules in database fingerprints file...\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	866 853 <span class="k">open</span> <span class="w">FINGERPRINTSFILE</span><span class="cm">,</span> <span class="q">"$FingerprintsFile"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $FingerprintsFile: $! \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	867 854 <span class="j">FILETYPE:</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	868 855 <span class="k">if</span> <span class="s">(</span><span class="i">$FileType</span> =~ <span class="q">/^SD$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	869 856 <span class="k">while</span> <span class="s">(</span><span class="i">$Line</span> = <span class="i">TextUtil::GetTextLine</span><span class="s">(</span>\<span class="i">*FINGERPRINTSFILE</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	870 857 <span class="k">if</span> <span class="s">(</span><span class="i">$Line</span> =~ <span class="q">/^\$\$\$\$/</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	871 858 <span class="i">$NumOfDatabaseMolecules</span>++<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	872 859 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	873 860 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	874 861 <span class="k">last</span> <span class="j">FILETYPE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	875 862 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	876 863 <span class="k">if</span> <span class="s">(</span><span class="i">$FileType</span> =~ <span class="q">/^Text$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	877 864 <span class="c"># Ignore column label line...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	878 865 <span class="i">$Line</span> = <span class="i">TextUtil::GetTextLine</span><span class="s">(</span>\<span class="i">*FINGERPRINTSFILE</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	879 866 <span class="k">while</span> <span class="s">(</span><span class="i">$Line</span> = <span class="i">TextUtil::GetTextLine</span><span class="s">(</span>\<span class="i">*FINGERPRINTSFILE</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	880 867 <span class="i">$NumOfDatabaseMolecules</span>++<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	881 868 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	882 869 <span class="k">last</span> <span class="j">FILETYPE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	883 870 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	884 871 <span class="k">if</span> <span class="s">(</span><span class="i">$FileType</span> =~ <span class="q">/^FP$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	885 872 <span class="k">while</span> <span class="s">(</span><span class="i">$Line</span> = <span class="i">TextUtil::GetTextLine</span><span class="s">(</span>\<span class="i">*FINGERPRINTSFILE</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	886 873 <span class="k">if</span> <span class="s">(</span><span class="i">$Line</span> !~ <span class="q">/^#/</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	887 874 <span class="i">$NumOfDatabaseMolecules</span>++<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	888 875 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	889 876 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	890 877 <span class="k">last</span> <span class="j">FILETYPE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	891 878 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	892 879 <span class="i">$NumOfDatabaseMolecules</span> = <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	893 880 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	894 881 <span class="k">close</span> <span class="w">FINGERPRINTSFILE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	895 882 <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">NumOfDatabaseMolecules</span>} = <span class="i">$NumOfDatabaseMolecules</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	896 883 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	897 884
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	898 885 <span class="i">$MaxSimilarMolecules</span> = <span class="k">int</span> <span class="s">(</span><span class="s">(</span><span class="i">$NumOfDatabaseMolecules</span> * <span class="i">$PercentSimilarMolecules</span><span class="s">)</span>/<span class="n">100</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	899 886 <span class="k">if</span> <span class="s">(</span><span class="i">$MaxSimilarMolecules</span> < <span class="n">1</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	900 887 <span class="i">$MaxSimilarMolecules</span> = <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	901 888 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	902 889
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	903 890 <span class="i">$OptionsInfo</span>{<span class="w">MaxSimilarMolecules</span>} = <span class="i">$MaxSimilarMolecules</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	904 891 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	905 892
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	906 893 <span class="c"># Retrieve information about fingerprints file...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	907 894 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	908 <a name="RetrieveFingerprintsFileInfo-"></a> 895 <span class="k">sub </span><span class="m">RetrieveFingerprintsFileInfo</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	909 896 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	910 897 <span class="k">my</span><span class="s">(</span><span class="i">$FileType</span><span class="cm">,</span> <span class="i">$InDelim</span><span class="cm">,</span> <span class="i">$FileDir</span><span class="cm">,</span> <span class="i">$FileExt</span><span class="cm">,</span> <span class="i">$FileName</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	911 898
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	912 899 <span class="k">if</span> <span class="s">(</span>!<span class="s">(</span><span class="k">-e</span> <span class="i">$FingerprintsFile</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	913 900 <span class="k">die</span> <span class="q">"Error: Input fingerprints file, $FingerprintsFile, doesn't exist.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	914 901 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	915 902
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	916 903 <span class="i">$FileType</span> = <span class="i">Fingerprints::FingerprintsFileUtil::GetFingerprintsFileType</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	917 904 <span class="k">if</span> <span class="s">(</span><span class="i">IsEmpty</span><span class="s">(</span><span class="i">$FileType</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	918 905 <span class="k">die</span> <span class="q">"Error: Input file, $FingerprintsFile, is not a fingerprints file.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	919 906 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	920 907
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	921 908 <span class="i">$InDelim</span> = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	922 909 <span class="k">if</span> <span class="s">(</span><span class="i">$FileType</span> =~ <span class="q">/^Text$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	923 910 <span class="i">$FileDir</span> = <span class="q">""</span><span class="sc">;</span> <span class="i">$FileName</span> = <span class="q">""</span><span class="sc">;</span> <span class="i">$FileExt</span> = <span class="q">""</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	924 911 <span class="s">(</span><span class="i">$FileDir</span><span class="cm">,</span> <span class="i">$FileName</span><span class="cm">,</span> <span class="i">$FileExt</span><span class="s">)</span> = <span class="i">ParseFileName</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	925 912 <span class="i">$InDelim</span> = <span class="s">(</span><span class="i">$FileExt</span> =~ <span class="q">/^tsv$/i</span><span class="s">)</span> ? <span class="q">'Tab'</span> <span class="co">:</span> <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	926 913 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	927 914
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	928 915 <span class="k">return</span> <span class="s">(</span><span class="i">$FileType</span><span class="cm">,</span> <span class="i">$InDelim</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	929 916 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	930 917
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	931 918 <span class="c"># Retrieve fingerprints file IO parameters...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	932 919 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	933 <a name="RetrieveFingerprintsFileIOParameters-"></a> 920 <span class="k">sub </span><span class="m">RetrieveFingerprintsFileIOParameters</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	934 921 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFileMode</span><span class="cm">,</span> <span class="i">$FileType</span><span class="cm">,</span> <span class="i">$FingerprintsFile</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	935 922 <span class="k">my</span><span class="s">(</span><span class="i">%FingerprintsFileIOParams</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	936 923
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	937 924 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsFileMode</span> !~ <span class="q">/^(Reference\|Database)$/</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	938 925 <span class="k">die</span> <span class="q">"Error: Unknown fingerprints file mode: $FingerprintsFileMode. Supported values: Reference or Database\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	939 926 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	940 927
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	941 928 <span class="i">%FingerprintsFileIOParams</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	942 929
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	943 930 <span class="j">FILETYPE:</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	944 931 <span class="k">if</span> <span class="s">(</span><span class="i">$FileType</span> =~ <span class="q">/^SD$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	945 932 <span class="i">%FingerprintsFileIOParams</span> = <span class="s">(</span><span class="q">'Name'</span> <span class="cm">=></span> <span class="i">$FingerprintsFile</span><span class="cm">,</span> <span class="q">'Mode'</span> <span class="cm">=></span> <span class="q">'Read'</span><span class="cm">,</span> <span class="q">'FingerprintsStringMode'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="w">FingerprintsMode</span>}<span class="cm">,</span> <span class="q">'ValidateData'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="w">ValidateData</span>}<span class="cm">,</span> <span class="q">'DetailLevel'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="w">Detail</span>}<span class="cm">,</span> <span class="q">'FingerprintsFieldLabel'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="q">"${FingerprintsFileMode}FingerprintsField"</span>}<span class="cm">,</span> <span class="q">'CompoundIDMode'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="q">"${FingerprintsFileMode}CompoundIDMode"</span>}<span class="cm">,</span> <span class="q">'CompoundIDFieldLabel'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="q">"${FingerprintsFileMode}CompoundIDField"</span>}<span class="cm">,</span> <span class="q">'CompoundIDPrefix'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="q">"${FingerprintsFileMode}CompoundIDPrefix"</span>}<span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	946 933 <span class="k">last</span> <span class="j">FILETYPE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	947 934 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	948 935 <span class="k">if</span> <span class="s">(</span><span class="i">$FileType</span> =~ <span class="q">/^FP$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	949 936 <span class="i">%FingerprintsFileIOParams</span> = <span class="s">(</span><span class="q">'Name'</span> <span class="cm">=></span> <span class="i">$FingerprintsFile</span><span class="cm">,</span> <span class="q">'Mode'</span> <span class="cm">=></span> <span class="q">'Read'</span><span class="cm">,</span> <span class="q">'FingerprintsStringMode'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="w">FingerprintsMode</span>}<span class="cm">,</span> <span class="q">'ValidateData'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="w">ValidateData</span>}<span class="cm">,</span> <span class="q">'DetailLevel'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="w">Detail</span>}<span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	950 937 <span class="k">last</span> <span class="j">FILETYPE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	951 938 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	952 939 <span class="k">if</span> <span class="s">(</span><span class="i">$FileType</span> =~ <span class="q">/^Text$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	953 940 <span class="i">%FingerprintsFileIOParams</span> = <span class="s">(</span><span class="q">'Name'</span> <span class="cm">=></span> <span class="i">$FingerprintsFile</span><span class="cm">,</span> <span class="q">'Mode'</span> <span class="cm">=></span> <span class="q">'Read'</span><span class="cm">,</span> <span class="q">'FingerprintsStringMode'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="w">FingerprintsMode</span>}<span class="cm">,</span> <span class="q">'ValidateData'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="w">ValidateData</span>}<span class="cm">,</span> <span class="q">'DetailLevel'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="w">Detail</span>}<span class="cm">,</span> <span class="q">'FingerprintsCol'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="q">"${FingerprintsFileMode}FingerprintsCol"</span>}<span class="cm">,</span> <span class="q">'ColMode'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="q">"${FingerprintsFileMode}ColMode"</span>}<span class="cm">,</span> <span class="q">'CompoundIDCol'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="q">"${FingerprintsFileMode}CompoundIDCol"</span>}<span class="cm">,</span> <span class="q">'CompoundIDPrefix'</span> <span class="cm">=></span> <span class="i">$OptionsInfo</span>{<span class="q">"${FingerprintsFileMode}CompoundIDPrefix"</span>}<span class="cm">,</span> <span class="q">'InDelim'</span> <span class="cm">=></span> <span class="i">$FingerprintsFilesInfo</span>{<span class="i">$FingerprintsFileMode</span>}{<span class="w">InDelim</span>}<span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	954 941 <span class="k">last</span> <span class="j">FILETYPE</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	955 942 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	956 943 <span class="k">die</span> <span class="q">"Error: Fingerprints file type, $FileType, is not valid. Supported file types: SD, FP or Text\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	957 944 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	958 945
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	959 946 <span class="k">return</span> <span class="i">%FingerprintsFileIOParams</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	960 947 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	961 948
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	962 949 <span class="c"># Make sure fingerprints data file contains valid dta and retrieve fingerprints string mode information...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	963 950 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	964 <a name="RetrieveFingerprintsFileFingerprintsStringInfo-"></a> 951 <span class="k">sub </span><span class="m">RetrieveFingerprintsFileFingerprintsStringInfo</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	965 952 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFileMode</span><span class="cm">,</span> <span class="i">$FingerprintsFile</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	966 953 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFileIO</span><span class="cm">,</span> <span class="i">$FingerprintsStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsBitVectorStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsVectorStringMode</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringType</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringDescription</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	967 954
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	968 955 <span class="i">$FingerprintsFileIO</span> = <span class="i">Fingerprints::FingerprintsFileUtil::NewFingerprintsFileIO</span><span class="s">(</span><span class="i">%</span>{<span class="i">$FingerprintsFilesInfo</span>{<span class="i">$FingerprintsFileMode</span>}{<span class="w">FingerprintsFileIOParameters</span>}}<span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	969 956 <span class="k">if</span> <span class="s">(</span>!<span class="i">$FingerprintsFileIO</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	970 957 <span class="k">die</span> <span class="q">"Error: Reference fingerprints file, $FingerprintsFile, contains invalid fingerprints data.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	971 958 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	972 959 <span class="k">if</span> <span class="s">(</span>!<span class="i">$FingerprintsFileIO</span><span class="i">->IsFingerprintsFileDataValid</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	973 960 <span class="k">die</span> <span class="q">"Error: Reference fingerprints file, $FingerprintsFile, contains invalid fingerprints data.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	974 961 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	975 962
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	976 963 <span class="i">$FingerprintsStringMode</span> = <span class="i">$FingerprintsFileIO</span><span class="i">->GetFingerprintsStringMode</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	977 964 <span class="i">$FingerprintsBitVectorStringMode</span> = <span class="i">$FingerprintsFileIO</span><span class="i">->GetFingerprintsBitVectorStringMode</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	978 965 <span class="i">$FingerprintsVectorStringMode</span> = <span class="i">$FingerprintsFileIO</span><span class="i">->GetFingerprintsVectorStringMode</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	979 966
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	980 967 <span class="i">$FirstFingerprintsStringType</span> = <span class="i">$FingerprintsFileIO</span><span class="i">->GetFirstFingerprintsStringType</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	981 968 <span class="i">$FirstFingerprintsStringDescription</span> = <span class="i">$FingerprintsFileIO</span><span class="i">->GetFirstFingerprintsStringDescription</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	982 969
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	983 970 <span class="i">$FingerprintsFileIO</span><span class="i">->Close</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	984 971
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	985 972 <span class="k">return</span> <span class="s">(</span><span class="i">$FingerprintsStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsBitVectorStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsVectorStringMode</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringType</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringDescription</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	986 973 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	987 974
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	988 975 <span class="c"># Retrieve output files names using reference fingerprints file name...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	989 976 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	990 <a name="RetrieveOutputFilesInfo-"></a> 977 <span class="k">sub </span><span class="m">RetrieveOutputFilesInfo</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	991 978 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="cm">,</span> <span class="i">$FileDir</span><span class="cm">,</span> <span class="i">$FileExt</span><span class="cm">,</span> <span class="i">$FileName</span><span class="cm">,</span> <span class="i">$OutFileRoot</span><span class="cm">,</span> <span class="i">$SDOutFileName</span><span class="cm">,</span> <span class="i">$TextOutFileName</span><span class="cm">,</span> <span class="i">$SDOutFileExt</span><span class="cm">,</span> <span class="i">$TextOutFileExt</span><span class="cm">,</span> <span class="i">$ReferenceFileName</span><span class="cm">,</span> <span class="i">$DatabaseFileName</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	992 979
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	993 980 <span class="i">$OutputFilesInfo</span>{<span class="w">OutFileRoot</span>} = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	994 981 <span class="i">$OutputFilesInfo</span>{<span class="w">SDOutFileName</span>} = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	995 982 <span class="i">$OutputFilesInfo</span>{<span class="w">TextOutFileName</span>} = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	996 983
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	997 984 <span class="i">$FingerprintsFile</span> = <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FileName</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	998 985
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	999 986 <span class="i">$FileDir</span> = <span class="q">""</span><span class="sc">;</span> <span class="i">$FileName</span> = <span class="q">""</span><span class="sc">;</span> <span class="i">$FileExt</span> = <span class="q">""</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1000 987 <span class="s">(</span><span class="i">$FileDir</span><span class="cm">,</span> <span class="i">$FileName</span><span class="cm">,</span> <span class="i">$FileExt</span><span class="s">)</span> = <span class="i">ParseFileName</span><span class="s">(</span><span class="i">$FingerprintsFile</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1001 988
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1002 989 <span class="i">$SDOutFileExt</span> = <span class="q">"sdf"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1003 990 <span class="i">$TextOutFileExt</span> = <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} =~ <span class="q">/^tab$/i</span><span class="s">)</span> ? <span class="q">"tsv"</span> <span class="co">:</span> <span class="q">"csv"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1004 991
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1005 992 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1006 993 <span class="k">my</span> <span class="s">(</span><span class="i">$RootFileDir</span><span class="cm">,</span> <span class="i">$RootFileName</span><span class="cm">,</span> <span class="i">$RootFileExt</span><span class="s">)</span> = <span class="i">ParseFileName</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>}<span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1007 994 <span class="k">if</span> <span class="s">(</span><span class="i">$RootFileName</span> && <span class="i">$RootFileExt</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1008 995 <span class="i">$FileName</span> = <span class="i">$RootFileName</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1009 996 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1010 997 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1011 998 <span class="i">$FileName</span> = <span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1012 999 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1013 1000 <span class="i">$OutFileRoot</span> = <span class="i">$FileName</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1014 1001 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1015 1002 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1016 1003 <span class="i">$OutFileRoot</span> = <span class="q">"${FileName}SimilaritySearching"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1017 1004 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1018 1005
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1019 1006 <span class="i">$SDOutFileName</span> = <span class="q">"${OutFileRoot}.${SDOutFileExt}"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1020 1007 <span class="i">$TextOutFileName</span> = <span class="q">"${OutFileRoot}.${TextOutFileExt}"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1021 1008
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1022 1009 <span class="i">$ReferenceFileName</span> = <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Reference</span>}{<span class="w">FileName</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1023 1010 <span class="i">$DatabaseFileName</span> = <span class="i">$FingerprintsFilesInfo</span>{<span class="w">Database</span>}{<span class="w">FileName</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1024 1011
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1025 1012 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SDOutput</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1026 1013 <span class="k">if</span> <span class="s">(</span><span class="i">$SDOutFileName</span> =~ <span class="q">/^$ReferenceFileName$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1027 1014 <span class="k">die</span> <span class="q">"Error: Same output, $SDOutFileName, and reference input file names.\nSpecify a different name using \"-r --root\" option or use default name.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1028 1015 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1029 1016 <span class="k">if</span> <span class="s">(</span><span class="i">$SDOutFileName</span> =~ <span class="q">/^$DatabaseFileName$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1030 1017 <span class="k">die</span> <span class="q">"Error: Same output, $SDOutFileName, and database input file names.\nSpecify a different name using \"-r --root\" option or use default name.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1031 1018 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1032 1019 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1033 1020
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1034 1021 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">TextOutput</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1035 1022 <span class="k">if</span> <span class="s">(</span><span class="i">$TextOutFileName</span> =~ <span class="q">/^$ReferenceFileName$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1036 1023 <span class="k">die</span> <span class="q">"Error: Same output, $TextOutFileName, and reference input file names.\nSpecify a different name using \"-r --root\" option or use default name.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1037 1024 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1038 1025 <span class="k">if</span> <span class="s">(</span><span class="i">$TextOutFileName</span> =~ <span class="q">/^$DatabaseFileName$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1039 1026 <span class="k">die</span> <span class="q">"Error: Same output, $TextOutFileName, and database input file names.\nSpecify a different name using \"-r --root\" option or use default name.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1040 1027 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1041 1028 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1042 1029
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1043 1030 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">OverwriteFiles</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1044 1031 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SDOutput</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1045 1032 <span class="k">if</span> <span class="s">(</span><span class="k">-e</span> <span class="i">$SDOutFileName</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1046 1033 <span class="k">die</span> <span class="q">"Error: The output file $SDOutFileName already exists.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1047 1034 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1048 1035 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1049 1036 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">TextOutput</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1050 1037 <span class="k">if</span> <span class="s">(</span><span class="k">-e</span> <span class="i">$TextOutFileName</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1051 1038 <span class="k">die</span> <span class="q">"Error: The output file $TextOutFileName already exists.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1052 1039 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1053 1040 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1054 1041 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1055 1042
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1056 1043 <span class="i">$OutputFilesInfo</span>{<span class="w">OutFileRoot</span>} = <span class="i">$OutFileRoot</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1057 1044 <span class="i">$OutputFilesInfo</span>{<span class="w">SDOutFileName</span>} = <span class="i">$SDOutFileName</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1058 1045 <span class="i">$OutputFilesInfo</span>{<span class="w">TextOutFileName</span>} = <span class="i">$TextOutFileName</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1059 1046
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1060 1047 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1061 1048
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1062 1049 <span class="c"># Process input fingerprints file names...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1063 1050 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1064 <a name="ProcessFingerprintsFileNames-"></a>1051 <span class="k">sub </span><span class="m">ProcessFingerprintsFileNames</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1065 1052 <span class="i">@FingerprintsFilesList</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1066 1053
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1067 1054 <span class="k">if</span> <span class="s">(</span><span class="i">@ARGV</span> != <span class="n">2</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1068 1055 <span class="k">die</span> <span class="i">GetUsageFromPod</span><span class="s">(</span><span class="q">"$FindBin::Bin/$ScriptName"</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1069 1056 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1070 1057
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1071 1058 <span class="c"># Reference fingerprints file name...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1072 1059 <span class="k">push</span> <span class="i">@FingerprintsFilesList</span><span class="cm">,</span> <span class="i">$ARGV</span>[<span class="n">0</span>]<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1073 1060
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1074 1061 <span class="c"># Database fingerprints file name...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1075 1062 <span class="k">push</span> <span class="i">@FingerprintsFilesList</span><span class="cm">,</span> <span class="i">$ARGV</span>[<span class="n">1</span>]<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1076 1063
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1077 1064 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1078 1065
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1079 1066 <span class="c"># Process option values...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1080 <a name="ProcessOptions-"></a>1067 <span class="k">sub </span><span class="m">ProcessOptions</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1081 1068 <span class="i">%OptionsInfo</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1082 1069
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1083 1070 <span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} = <span class="i">$Options</span>{<span class="w">mode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1084 1071 <span class="i">$OptionsInfo</span>{<span class="w">FingerprintsMode</span>} = <span class="i">$Options</span>{<span class="w">fingerprintsmode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1085 1072
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1086 1073 <span class="i">$OptionsInfo</span>{<span class="w">SearchMode</span>} = <span class="i">$Options</span>{<span class="w">searchmode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1087 1074
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1088 1075 <span class="i">ProcessBitVectorComparisonOptions</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1089 1076 <span class="i">ProcessVectorComparisonOptions</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1090 1077
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1091 1078 <span class="i">$OptionsInfo</span>{<span class="w">GroupFusionRule</span>} = <span class="i">$Options</span>{<span class="w">groupfusionrule</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1092 1079 <span class="i">$OptionsInfo</span>{<span class="w">GroupFusionApplyCutoff</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">groupfusionapplycutoff</span>} =~ <span class="q">/^Yes$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1093 1080
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1094 1081 <span class="i">$OptionsInfo</span>{<span class="w">SimilarCountMode</span>} = <span class="i">$Options</span>{<span class="w">similarcountmode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1095 1082 <span class="i">$OptionsInfo</span>{<span class="w">NumOfSimilarMolecules</span>} = <span class="i">$Options</span>{<span class="w">numofsimilarmolecules</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1096 1083 <span class="i">$OptionsInfo</span>{<span class="w">PercentSimilarMolecules</span>} = <span class="i">$Options</span>{<span class="w">percentsimilarmolecules</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1097 1084
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1098 1085 <span class="c"># Set MaxSimilarMolecules to NumOfSimilarMolecules. For PercentSimilar value of SimilarCountMode,</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1099 1086 <span class="c"># it'll be overwritten using number of entries in database fingerprints file and value of PercentSimilarMolecules...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1100 1087 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1101 1088 <span class="i">$OptionsInfo</span>{<span class="w">MaxSimilarMolecules</span>} = <span class="i">$OptionsInfo</span>{<span class="w">NumOfSimilarMolecules</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1102 1089
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1103 1090 <span class="i">$OptionsInfo</span>{<span class="w">SimilarityCutoff</span>} = <span class="i">$Options</span>{<span class="w">similaritycutoff</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1104 1091 <span class="i">$OptionsInfo</span>{<span class="w">DistanceCutoff</span>} = <span class="i">$Options</span>{<span class="w">distancecutoff</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1105 1092
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1106 1093 <span class="i">$OptionsInfo</span>{<span class="w">kNN</span>} = <span class="i">$Options</span>{<span class="w">knn</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1107 1094 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">knn</span>} !~ <span class="q">/^All$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1108 1095 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">knn</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1109 1096 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{knn}, for option \"-k, --KNN\" is not valid. Allowed values: > 0 \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1110 1097 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1111 1098 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1112 1099
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1113 1100 <span class="i">ProcessReferenceFingerprintsDataOptions</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1114 1101 <span class="i">ProcessDatabaseFingerprintsDataOptions</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1115 1102
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1116 1103 <span class="i">$OptionsInfo</span>{<span class="w">Detail</span>} = <span class="i">$Options</span>{<span class="w">detail</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1117 1104
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1118 1105 <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>} = <span class="i">$Options</span>{<span class="w">indelim</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1119 1106 <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} =~ <span class="q">/tab/i</span> <span class="s">)</span> ? <span class="q">"\t"</span> <span class="co">:</span> <span class="s">(</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} =~ <span class="q">/semicolon/i</span><span class="s">)</span> ? <span class="q">"\;"</span> <span class="co">:</span> <span class="q">"\,"</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1120 1107 <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">quote</span>} =~ <span class="q">/^Yes$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1121 1108
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1122 1109 <span class="i">$OptionsInfo</span>{<span class="w">Output</span>} = <span class="i">$Options</span>{<span class="w">output</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1123 1110 <span class="i">$OptionsInfo</span>{<span class="w">SDOutput</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">output</span>} =~ <span class="q">/^(SD\|Both)$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1124 1111 <span class="i">$OptionsInfo</span>{<span class="w">TextOutput</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">output</span>} =~ <span class="q">/^(Text\|Both)$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1125 1112
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1126 1113 <span class="i">$OptionsInfo</span>{<span class="w">OverwriteFiles</span>} = <span class="i">$Options</span>{<span class="w">overwrite</span>} ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1127 1114 <span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>} = <span class="i">$Options</span>{<span class="w">root</span>} ? <span class="i">$Options</span>{<span class="w">root</span>} <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1128 1115
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1129 1116 <span class="i">$OptionsInfo</span>{<span class="w">Fast</span>} = <span class="i">$Options</span>{<span class="w">fast</span>} ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1130 1117 <span class="i">$OptionsInfo</span>{<span class="w">ValidateData</span>} = <span class="i">$Options</span>{<span class="w">fast</span>} ? <span class="n">0</span> <span class="co">:</span> <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1131 1118
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1132 1119 <span class="i">$OptionsInfo</span>{<span class="w">Precision</span>} = <span class="i">$Options</span>{<span class="w">precision</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1133 1120 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1134 1121
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1135 1122 <span class="c"># Process options related to comparion of bit vector strings...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1136 1123 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1137 <a name="ProcessBitVectorComparisonOptions-"></a>1124 <span class="k">sub </span><span class="m">ProcessBitVectorComparisonOptions</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1138 1125 <span class="c"># Setup supported bit vector similarity coefficients for bit vector strings...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1139 1126 <span class="k">my</span><span class="s">(</span><span class="i">$ComparisonMeasure</span><span class="cm">,</span> <span class="i">$SupportedComparisonMeasure</span><span class="cm">,</span> <span class="i">@SupportedComparisonMeasures</span><span class="cm">,</span> <span class="i">%SupportedComparisonMeasuresNameMap</span><span class="cm">,</span> <span class="i">%SupportedComparisonMeasuresMethodMap</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1140 1127
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1141 1128 <span class="i">@SupportedComparisonMeasures</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1142 1129 <span class="i">%SupportedComparisonMeasuresNameMap</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1143 1130 <span class="i">%SupportedComparisonMeasuresMethodMap</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1144 1131
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1145 1132 <span class="k">for</span> <span class="i">$SupportedComparisonMeasure</span> <span class="s">(</span><span class="i">Fingerprints::FingerprintsBitVector::GetSupportedSimilarityCoefficients</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1146 1133 <span class="c"># Similarity coefficient function/method names contain "Coefficient" in their names.</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1147 1134 <span class="c"># So take 'em out and setup a map to original function/method name...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1148 1135 <span class="i">$ComparisonMeasure</span> = <span class="i">$SupportedComparisonMeasure</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1149 1136 <span class="i">$ComparisonMeasure</span> =~ <span class="q">s/Coefficient$//</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1150 1137
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1151 1138 <span class="k">push</span> <span class="i">@SupportedComparisonMeasures</span><span class="cm">,</span> <span class="i">$ComparisonMeasure</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1152 1139 <span class="i">$SupportedComparisonMeasuresNameMap</span>{<span class="k">lc</span><span class="s">(</span><span class="i">$ComparisonMeasure</span><span class="s">)</span>} = <span class="i">$ComparisonMeasure</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1153 1140 <span class="i">$SupportedComparisonMeasuresMethodMap</span>{<span class="k">lc</span><span class="s">(</span><span class="i">$ComparisonMeasure</span><span class="s">)</span>} = <span class="i">$SupportedComparisonMeasure</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1154 1141 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1155 1142
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1156 1143 <span class="c"># Setup similarity coefficient to use for calculating similarity matrices for bit vector strings...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1157 1144 <span class="k">my</span><span class="s">(</span><span class="i">$SpecifiedMeasure</span><span class="cm">,</span> <span class="i">$SpecifiedComparisonMeasureName</span><span class="cm">,</span> <span class="i">$SpecifiedComparisonMeasureMethod</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1158 1145
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1159 1146 <span class="i">$SpecifiedComparisonMeasureName</span> = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1160 1147 <span class="i">$SpecifiedComparisonMeasureMethod</span> = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1161 1148
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1162 1149 <span class="i">$SpecifiedMeasure</span> = <span class="i">$Options</span>{<span class="w">bitvectorcomparisonmode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1163 1150
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1164 1151 <span class="k">if</span> <span class="s">(</span>! <span class="k">exists</span> <span class="i">$SupportedComparisonMeasuresMethodMap</span>{<span class="k">lc</span><span class="s">(</span><span class="i">$SpecifiedMeasure</span><span class="s">)</span>} <span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1165 1152 <span class="k">die</span> <span class="q">"Error: The value specified, $SpecifiedMeasure, for option \"-b --BitVectorComparisonMode\" is not valid.\nAllowed values:"</span><span class="cm">,</span> <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@SupportedComparisonMeasures</span><span class="cm">,</span> <span class="q">", "</span><span class="cm">,</span> <span class="n">0</span><span class="s">)</span><span class="cm">,</span> <span class="q">"\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1166 1153 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1167 1154
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1168 1155 <span class="i">$SpecifiedComparisonMeasureMethod</span> = <span class="i">$SupportedComparisonMeasuresMethodMap</span>{<span class="k">lc</span><span class="s">(</span><span class="i">$SpecifiedMeasure</span><span class="s">)</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1169 1156 <span class="i">$SpecifiedComparisonMeasureName</span> = <span class="i">$SupportedComparisonMeasuresNameMap</span>{<span class="k">lc</span><span class="s">(</span><span class="i">$SpecifiedMeasure</span><span class="s">)</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1170 1157
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1171 1158 <span class="i">$OptionsInfo</span>{<span class="w">BitVectorComparisonMode</span>} = <span class="i">$Options</span>{<span class="w">bitvectorcomparisonmode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1172 1159
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1173 1160 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedBitVectorComparisonMeasure</span>} = <span class="i">$SpecifiedMeasure</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1174 1161 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedBitVectorComparisonMeasureName</span>} = <span class="i">$SpecifiedComparisonMeasureName</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1175 1162 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedBitVectorComparisonMeasureMethod</span>} = <span class="i">$SpecifiedComparisonMeasureMethod</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1176 1163
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1177 1164 <span class="c"># Make sure valid alpha parameter is specified for Tversky calculation...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1178 1165 <span class="i">$OptionsInfo</span>{<span class="w">Alpha</span>} = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1179 1166 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedMeasure</span> =~ <span class="q">/^(TverskySimilarity\|WeightedTverskySimilarity)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1180 1167 <span class="k">if</span> <span class="s">(</span><span class="i">IsEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">alpha</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1181 1168 <span class="k">die</span> <span class="q">"Error: You must specify a value for \"-a, --alpha\" option in \"TverskySimilarity or WeightedTverskySimilarity\" \"-m --mode\". \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1182 1169 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1183 1170 <span class="k">my</span><span class="s">(</span><span class="i">$Alpha</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1184 1171 <span class="i">$Alpha</span> = <span class="i">$Options</span>{<span class="w">alpha</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1185 1172 <span class="k">if</span> <span class="s">(</span>!<span class="s">(</span><span class="i">IsFloat</span><span class="s">(</span><span class="i">$Alpha</span><span class="s">)</span> && <span class="i">$Alpha</span> >=<span class="n">0</span> && <span class="i">$Alpha</span> <= <span class="n">1</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1186 1173 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{alpha}, for option \"-a, --alpha\" is not valid. Allowed values: >= 0 and <= 1\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1187 1174 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1188 1175 <span class="i">$OptionsInfo</span>{<span class="w">Alpha</span>} = <span class="i">$Alpha</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1189 1176 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1190 1177
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1191 1178 <span class="c"># Make sure valid beta parameter is specified for WeightedTanimoto and WeightedTversky</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1192 1179 <span class="c"># calculations...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1193 1180 <span class="i">$OptionsInfo</span>{<span class="w">Beta</span>} = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1194 1181 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedMeasure</span> =~ <span class="q">/^(WeightedTverskySimilarity\|WeightedTanimotoSimilarity)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1195 1182 <span class="k">if</span> <span class="s">(</span><span class="i">IsEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">beta</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1196 1183 <span class="k">die</span> <span class="q">"Error: You must specify a value for \"-b, --beta\" option in \"WeightedTverskySimilarity or WeightedTanimotoSimilarity\" \"-m --mode\". \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1197 1184 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1198 1185 <span class="k">my</span><span class="s">(</span><span class="i">$Beta</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1199 1186 <span class="i">$Beta</span> = <span class="i">$Options</span>{<span class="w">beta</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1200 1187 <span class="k">if</span> <span class="s">(</span>!<span class="s">(</span><span class="i">IsFloat</span><span class="s">(</span><span class="i">$Beta</span><span class="s">)</span> && <span class="i">$Beta</span> >=<span class="n">0</span> && <span class="i">$Beta</span> <= <span class="n">1</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1201 1188 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{beta}, for option \"-b, --beta\" is not valid. Allowed values: >= 0 and <= 1\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1202 1189 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1203 1190 <span class="i">$OptionsInfo</span>{<span class="w">Beta</span>} = <span class="i">$Beta</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1204 1191 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1205 1192 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1206 1193
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1207 1194 <span class="c"># Process options related to comparion of vector strings...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1208 1195 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1209 <a name="ProcessVectorComparisonOptions-"></a>1196 <span class="k">sub </span><span class="m">ProcessVectorComparisonOptions</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1210 1197 <span class="c"># Setup specified similarity coefficients for vector strings..</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1211 1198 <span class="k">my</span><span class="s">(</span><span class="i">$ComparisonMeasure</span><span class="cm">,</span> <span class="i">$SupportedComparisonMeasure</span><span class="cm">,</span> <span class="i">@SupportedComparisonMeasures</span><span class="cm">,</span> <span class="i">%SupportedComparisonMeasuresNameMap</span><span class="cm">,</span> <span class="i">%SupportedComparisonMeasuresMethodMap</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1212 1199
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1213 1200 <span class="i">@SupportedComparisonMeasures</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1214 1201 <span class="i">%SupportedComparisonMeasuresNameMap</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1215 1202 <span class="i">%SupportedComparisonMeasuresMethodMap</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1216 1203 <span class="k">for</span> <span class="i">$SupportedComparisonMeasure</span> <span class="s">(</span><span class="i">Fingerprints::FingerprintsVector::GetSupportedDistanceAndSimilarityCoefficients</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1217 1204 <span class="c"># Similarity and distance coefficient function/method names contain "Coefficient" in their names.</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1218 1205 <span class="c"># So take 'em out and setup a map to original function/method name...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1219 1206 <span class="i">$ComparisonMeasure</span> = <span class="i">$SupportedComparisonMeasure</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1220 1207 <span class="k">if</span> <span class="s">(</span><span class="i">$ComparisonMeasure</span> =~ <span class="q">/Coefficient$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1221 1208 <span class="i">$ComparisonMeasure</span> =~ <span class="q">s/Coefficient$//i</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1222 1209 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1223 1210 <span class="k">push</span> <span class="i">@SupportedComparisonMeasures</span><span class="cm">,</span> <span class="i">$ComparisonMeasure</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1224 1211 <span class="i">$SupportedComparisonMeasuresNameMap</span>{<span class="k">lc</span><span class="s">(</span><span class="i">$ComparisonMeasure</span><span class="s">)</span>} = <span class="i">$ComparisonMeasure</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1225 1212 <span class="i">$SupportedComparisonMeasuresMethodMap</span>{<span class="k">lc</span><span class="s">(</span><span class="i">$ComparisonMeasure</span><span class="s">)</span>} = <span class="i">$SupportedComparisonMeasure</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1226 1213 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1227 1214
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1228 1215 <span class="c"># Setup a list of similarity coefficients to use for calculating similarity matrices for bit vector strings...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1229 1216 <span class="k">my</span><span class="s">(</span><span class="i">$SpecifiedMeasure</span><span class="cm">,</span> <span class="i">$SpecifiedComparisonMeasureName</span><span class="cm">,</span> <span class="i">$SpecifiedComparisonMeasureMethod</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1230 1217
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1231 1218 <span class="i">$SpecifiedComparisonMeasureName</span> = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1232 1219 <span class="i">$SpecifiedComparisonMeasureMethod</span> = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1233 1220
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1234 1221 <span class="i">$SpecifiedMeasure</span> = <span class="i">$Options</span>{<span class="w">vectorcomparisonmode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1235 1222 <span class="i">$SpecifiedMeasure</span> =~ <span class="q">s/ //g</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1236 1223
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1237 1224 <span class="k">if</span> <span class="s">(</span>! <span class="k">exists</span><span class="s">(</span><span class="i">$SupportedComparisonMeasuresMethodMap</span>{<span class="k">lc</span><span class="s">(</span><span class="i">$SpecifiedMeasure</span><span class="s">)</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1238 1225 <span class="k">die</span> <span class="q">"Error: The value specified, $SpecifiedMeasure, for option \"-v --VectorComparisonMode\" is not valid.\nAllowed values:"</span><span class="cm">,</span> <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@SupportedComparisonMeasures</span><span class="cm">,</span> <span class="q">", "</span><span class="cm">,</span> <span class="n">0</span><span class="s">)</span><span class="cm">,</span> <span class="q">"\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1239 1226 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1240 1227
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1241 1228 <span class="i">$SpecifiedComparisonMeasureMethod</span> = <span class="i">$SupportedComparisonMeasuresMethodMap</span>{<span class="k">lc</span><span class="s">(</span><span class="i">$SpecifiedMeasure</span><span class="s">)</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1242 1229 <span class="i">$SpecifiedComparisonMeasureName</span> = <span class="i">$SupportedComparisonMeasuresNameMap</span>{<span class="k">lc</span><span class="s">(</span><span class="i">$SpecifiedMeasure</span><span class="s">)</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1243 1230
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1244 1231 <span class="i">$OptionsInfo</span>{<span class="w">VectorComparisonMode</span>} = <span class="i">$Options</span>{<span class="w">vectorcomparisonmode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1245 1232
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1246 1233 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedVectorComparisonMeasure</span>} = <span class="i">$SpecifiedMeasure</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1247 1234 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedVectorComparisonMeasuresName</span>} = <span class="i">$SpecifiedComparisonMeasureName</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1248 1235 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedVectorComparisonMeasuresMethod</span>} = <span class="i">$SpecifiedComparisonMeasureMethod</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1249 1236
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1250 1237 <span class="c"># Setup specified vector comparison calculation modes...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1251 1238 <span class="k">my</span><span class="s">(</span><span class="i">$SpecifiedFormulism</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1252 1239
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1253 1240 <span class="i">$SpecifiedFormulism</span> = <span class="i">$Options</span>{<span class="w">vectorcomparisonformulism</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1254 1241 <span class="i">$SpecifiedFormulism</span> =~ <span class="q">s/ //g</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1255 1242 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedFormulism</span> !~ <span class="q">/^(AlgebraicForm\|BinaryForm\|SetTheoreticForm)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1256 1243 <span class="k">die</span> <span class="q">"Error: The value specified, $SpecifiedFormulism, for option \"--VectorComparisonFormulism\" is not valid. Allowed values: AlgebraicForm, BinaryForm or SetTheoreticForm\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1257 1244 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1258 1245
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1259 1246 <span class="i">$OptionsInfo</span>{<span class="w">VectorComparisonFormulism</span>} = <span class="i">$Options</span>{<span class="w">vectorcomparisonformulism</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1260 1247 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedVectorComparisonMode</span>} = <span class="i">$SpecifiedFormulism</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1261 1248
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1262 1249 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1263 1250
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1264 1251 <span class="c"># Process options related to data retrieval from reference fingerprints SD and CSV/TSV</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1265 1252 <span class="c"># text files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1266 1253 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1267 <a name="ProcessReferenceFingerprintsDataOptions-"></a>1254 <span class="k">sub </span><span class="m">ProcessReferenceFingerprintsDataOptions</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1268 1255
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1269 1256 <span class="i">$OptionsInfo</span>{<span class="w">ReferenceCompoundIDPrefix</span>} = <span class="i">$Options</span>{<span class="w">referencecompoundidprefix</span>} ? <span class="i">$Options</span>{<span class="w">referencecompoundidprefix</span>} <span class="co">:</span> <span class="q">'Cmpd'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1270 1257
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1271 1258 <span class="c"># Compound ID and fingerprints column options for text files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1272 1259
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1273 1260 <span class="i">$OptionsInfo</span>{<span class="w">ReferenceColMode</span>} = <span class="i">$Options</span>{<span class="w">referencecolmode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1274 1261
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1275 1262 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecompoundidcol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1276 1263 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecolmode</span>} =~ <span class="q">/^ColNum$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1277 1264 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecompoundidcol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1278 1265 <span class="k">die</span> <span class="q">"Error: Column value, $Options{referencecompoundidcol}, specified using \"--ReferenceCompoundIDCol\" is not valid: Allowed integer values: > 0\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1279 1266 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1280 1267 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1281 1268 <span class="i">$OptionsInfo</span>{<span class="w">ReferenceCompoundIDCol</span>} = <span class="i">$Options</span>{<span class="w">referencecompoundidcol</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1282 1269 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1283 1270 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1284 1271 <span class="i">$OptionsInfo</span>{<span class="w">ReferenceCompoundIDCol</span>} = <span class="q">'AutoDetect'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1285 1272 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1286 1273
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1287 1274 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">referencefingerprintscol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1288 1275 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecolmode</span>} =~ <span class="q">/^ColNum$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1289 1276 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">referencefingerprintscol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1290 1277 <span class="k">die</span> <span class="q">"Error: Column value, $Options{referencefingerprintscol}, specified using \"--ReferenceFingerprintsCol\" is not valid: Allowed integer values: > 0\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1291 1278 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1292 1279 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1293 1280 <span class="i">$OptionsInfo</span>{<span class="w">ReferenceFingerprintsCol</span>} = <span class="i">$Options</span>{<span class="w">referencefingerprintscol</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1294 1281 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1295 1282 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1296 1283 <span class="i">$OptionsInfo</span>{<span class="w">ReferenceFingerprintsCol</span>} = <span class="q">'AutoDetect'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1297 1284 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1298 1285
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1299 1286 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecompoundidcol</span>}<span class="s">)</span> && <span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">referencefingerprintscol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1300 1287 <span class="k">if</span> <span class="s">(</span><span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecompoundidcol</span>}<span class="s">)</span> && <span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">referencefingerprintscol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1301 1288 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecompoundidcol</span>} == <span class="i">$Options</span>{<span class="w">referencefingerprintscol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1302 1289 <span class="k">die</span> <span class="q">"Error: Values specified using \"--ReferenceCompoundIDCol\" and \"--ReferenceFingerprintsCol\", $Options{referencecompoundidcol}, must be different.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1303 1290 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1304 1291 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1305 1292 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1306 1293 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecompoundidcol</span>} <span class="k">eq</span> <span class="i">$Options</span>{<span class="w">referencefingerprintscol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1307 1294 <span class="k">die</span> <span class="q">"Error: Values specified using \"--ReferenceCompoundIDCol\" and \"--ReferenceFingerprintsCol\", $Options{referencecompoundidcol}, must be different.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1308 1295 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1309 1296 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1310 1297 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1311 1298
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1312 1299 <span class="c"># Compound ID and fingerprints field options for SD files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1313 1300
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1314 1301 <span class="i">$OptionsInfo</span>{<span class="w">ReferenceCompoundIDMode</span>} = <span class="i">$Options</span>{<span class="w">referencecompoundidmode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1315 1302 <span class="i">$OptionsInfo</span>{<span class="w">ReferenceCompoundIDField</span>} = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1316 1303
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1317 1304 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecompoundidmode</span>} =~ <span class="q">/^DataField$/i</span> && !<span class="i">$Options</span>{<span class="w">referencecompoundidfield</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1318 1305 <span class="k">die</span> <span class="q">"Error: You must specify a value for \"--ReferenceCompoundIDField\" option in \"DataField\" \"--ReferenceCompoundIDMode\". \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1319 1306 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1320 1307 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecompoundidfield</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1321 1308 <span class="i">$OptionsInfo</span>{<span class="w">ReferenceCompoundIDField</span>} = <span class="i">$Options</span>{<span class="w">referencecompoundidfield</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1322 1309 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1323 1310
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1324 1311 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">referencefingerprintsfield</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1325 1312 <span class="i">$OptionsInfo</span>{<span class="w">ReferenceFingerprintsField</span>} = <span class="i">$Options</span>{<span class="w">referencefingerprintsfield</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1326 1313 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1327 1314 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1328 1315 <span class="i">$OptionsInfo</span>{<span class="w">ReferenceFingerprintsField</span>} = <span class="q">'AutoDetect'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1329 1316 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1330 1317
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1331 1318 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecompoundidfield</span>} && <span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">referencefingerprintsfield</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1332 1319 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecompoundidfield</span>} <span class="k">eq</span> <span class="i">$Options</span>{<span class="w">referencefingerprintsfield</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1333 1320 <span class="k">die</span> <span class="q">"Error: Values specified using \"--ReferenceCompoundIDField\" and \"--ReferenceFingerprintsfield\", $Options{referencecompoundidfield}, must be different.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1334 1321 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1335 1322 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1336 1323
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1337 1324 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1338 1325
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1339 1326 <span class="c"># Process options related to data retrieval from database fingerprints SD and CSV/TSV</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1340 1327 <span class="c"># text files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1341 1328 <span class="c">#</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1342 <a name="ProcessDatabaseFingerprintsDataOptions-"></a>1329 <span class="k">sub </span><span class="m">ProcessDatabaseFingerprintsDataOptions</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1343 1330
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1344 1331 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseCompoundIDPrefix</span>} = <span class="i">$Options</span>{<span class="w">databasecompoundidprefix</span>} ? <span class="i">$Options</span>{<span class="w">databasecompoundidprefix</span>} <span class="co">:</span> <span class="q">'Cmpd'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1345 1332
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1346 1333 <span class="c"># Compound ID and fingerprints column options for text files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1347 1334
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1348 1335 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseColMode</span>} = <span class="i">$Options</span>{<span class="w">databasecolmode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1349 1336
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1350 1337 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecompoundidcol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1351 1338 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecolmode</span>} =~ <span class="q">/^ColNum$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1352 1339 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecompoundidcol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1353 1340 <span class="k">die</span> <span class="q">"Error: Column value, $Options{databasecompoundidcol}, specified using \"--DatabaseCompoundIDCol\" is not valid: Allowed integer values: > 0\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1354 1341 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1355 1342 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1356 1343 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseCompoundIDCol</span>} = <span class="i">$Options</span>{<span class="w">databasecompoundidcol</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1357 1344 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1358 1345 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1359 1346 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseCompoundIDCol</span>} = <span class="q">'AutoDetect'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1360 1347 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1361 1348
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1362 1349 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">databasefingerprintscol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1363 1350 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecolmode</span>} =~ <span class="q">/^ColNum$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1364 1351 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">databasefingerprintscol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1365 1352 <span class="k">die</span> <span class="q">"Error: Column value, $Options{databasefingerprintscol}, specified using \"--DatabaseFingerprintsCol\" is not valid: Allowed integer values: > 0\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1366 1353 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1367 1354 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1368 1355 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseFingerprintsCol</span>} = <span class="i">$Options</span>{<span class="w">databasefingerprintscol</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1369 1356 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1370 1357 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1371 1358 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseFingerprintsCol</span>} = <span class="q">'AutoDetect'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1372 1359 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1373 1360
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1374 1361 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecompoundidcol</span>}<span class="s">)</span> && <span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">databasefingerprintscol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1375 1362 <span class="k">if</span> <span class="s">(</span><span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecompoundidcol</span>}<span class="s">)</span> && <span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">databasefingerprintscol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1376 1363 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecompoundidcol</span>} == <span class="i">$Options</span>{<span class="w">databasefingerprintscol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1377 1364 <span class="k">die</span> <span class="q">"Error: Values specified using \"--DatabaseCompoundIDCol\" and \"--DatabaseFingerprintsCol\", $Options{databasecompoundidcol}, must be different.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1378 1365 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1379 1366 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1380 1367 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1381 1368 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecompoundidcol</span>} <span class="k">eq</span> <span class="i">$Options</span>{<span class="w">databasefingerprintscol</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1382 1369 <span class="k">die</span> <span class="q">"Error: Values specified using \"--DatabaseCompoundIDCol\" and \"--DatabaseFingerprintsCol\", $Options{databasecompoundidcol}, must be different.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1383 1370 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1384 1371 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1385 1372 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1386 1373
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1387 1374 <span class="c"># Database data column options for text files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1388 1375
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1389 1376 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataColsMode</span>} = <span class="i">$Options</span>{<span class="w">databasedatacolsmode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1390 1377 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataCols</span>} = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1391 1378 <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDatabaseDataCols</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1392 1379
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1393 1380 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">databasedatacolsmode</span>} =~ <span class="q">/^Specify$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1394 1381 <span class="k">my</span><span class="s">(</span><span class="i">$DatabaseDataCols</span><span class="cm">,</span> <span class="i">$DatabaseColNum</span><span class="cm">,</span> <span class="i">@SpecifiedDataCols</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1395 1382
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1396 1383 <span class="k">if</span> <span class="s">(</span>!<span class="i">$Options</span>{<span class="w">databasedatacols</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1397 1384 <span class="k">die</span> <span class="q">"Error: You must specify a value for \"--DatabaseDataCols\" option in \"Specify\" \"--DatabaseDataColsMode\". \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1398 1385 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1399 1386 <span class="i">$DatabaseDataCols</span> = <span class="i">$Options</span>{<span class="w">databasedatacols</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1400 1387
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1401 1388 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecolmode</span>} =~ <span class="q">/^ColNum$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1402 1389 <span class="i">$DatabaseDataCols</span> =~ <span class="q">s/ //g</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1403 1390 <span class="i">@SpecifiedDataCols</span> = <span class="k">split</span> <span class="q">/\,/</span><span class="cm">,</span> <span class="i">$DatabaseDataCols</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1404 1391 <span class="k">for</span> <span class="i">$DatabaseColNum</span> <span class="s">(</span><span class="i">@SpecifiedDataCols</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1405 1392 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$DatabaseColNum</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1406 1393 <span class="k">die</span> <span class="q">"Error: Column value, $DatabaseColNum, specified using \"--DatabaseDataCols\" is not valid: Allowed integer values: > 0\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1407 1394 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1408 1395 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1409 1396 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1410 1397 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1411 1398 <span class="i">@SpecifiedDataCols</span> = <span class="k">split</span> <span class="q">/\,/</span><span class="cm">,</span> <span class="i">$DatabaseDataCols</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1412 1399 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1413 1400 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataCols</span>} = <span class="i">$DatabaseDataCols</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1414 1401 <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDatabaseDataCols</span>}}<span class="cm">,</span> <span class="i">@SpecifiedDataCols</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1415 1402 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1416 1403 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">databasedatacolsmode</span>} =~ <span class="q">/^All$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1417 1404 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataCols</span>} = <span class="q">'All'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1418 1405 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1419 1406
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1420 1407 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataColsMode</span>} =~ <span class="q">/^Specify$/i</span> && !<span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataCols</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1421 1408 <span class="k">die</span> <span class="q">"Error: You must specify a value for \"--DatabaseDataCols\" option in \"Specify\" \"--DatabaseDataColsMode\". \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1422 1409 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1423 1410
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1424 1411 <span class="c"># Compound ID and fingerprints field options for SD files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1425 1412
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1426 1413 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseCompoundIDMode</span>} = <span class="i">$Options</span>{<span class="w">databasecompoundidmode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1427 1414 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseCompoundIDField</span>} = <span class="i">$Options</span>{<span class="w">databasecompoundidfield</span>} ? <span class="i">$Options</span>{<span class="w">databasecompoundidfield</span>} <span class="co">:</span> <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1428 1415
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1429 1416 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecompoundidmode</span>} =~ <span class="q">/^DataField$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1430 1417 <span class="k">if</span> <span class="s">(</span>!<span class="i">$Options</span>{<span class="w">databasecompoundidfield</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1431 1418 <span class="k">die</span> <span class="q">"Error: You must specify a value for \"--DatabaseCompoundIDField\" option in \"DataField\" \"--DatabaseCompoundIDMode\". \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1432 1419 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1433 1420 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseCompoundIDField</span>} = <span class="i">$Options</span>{<span class="w">databasecompoundidfield</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1434 1421 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1435 1422
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1436 1423
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1437 1424 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">databasefingerprintsfield</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1438 1425 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseFingerprintsField</span>} = <span class="i">$Options</span>{<span class="w">databasefingerprintsfield</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1439 1426 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1440 1427 <span class="k">else</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1441 1428 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseFingerprintsField</span>} = <span class="q">'AutoDetect'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1442 1429 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1443 1430
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1444 1431 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecompoundidfield</span>} && <span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">databasefingerprintsfield</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1445 1432 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecompoundidfield</span>} <span class="k">eq</span> <span class="i">$Options</span>{<span class="w">databasefingerprintsfield</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1446 1433 <span class="k">die</span> <span class="q">"Error: Values specified using \"--DatabaseCompoundIDField\" and \"--DatabaseFingerprintsfield\", $Options{databasecompoundidfield}, must be different.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1447 1434 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1448 1435 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1449 1436
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1450 1437 <span class="c"># Database data field options for SD files...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1451 1438
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1452 1439 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataFieldsMode</span>} = <span class="i">$Options</span>{<span class="w">databasedatafieldsmode</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1453 1440 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataFields</span>} = <span class="q">''</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1454 1441 <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDatabaseDataFields</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1455 1442
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1456 1443 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">databasedatafieldsmode</span>} =~ <span class="q">/^Specify$/i</span> && !<span class="i">$Options</span>{<span class="w">databasedatafields</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1457 1444 <span class="k">die</span> <span class="q">"Error: You must specify a value for \"--DatabaseDataFields\" option in \"Specify\" \"--DatabaseDataFieldsMode\". \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1458 1445 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1459 1446 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">databasedatafields</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1460 1447 <span class="k">my</span><span class="s">(</span><span class="i">@SpecifiedDataFields</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1461 1448 <span class="i">$OptionsInfo</span>{<span class="w">DatabaseDataFields</span>} = <span class="i">$Options</span>{<span class="w">databasedatafields</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1462 1449
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1463 1450 <span class="i">@SpecifiedDataFields</span> = <span class="k">split</span> <span class="q">/\,/</span><span class="cm">,</span> <span class="i">$Options</span>{<span class="w">databasedatafields</span>}<span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1464 1451 <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDatabaseDataFields</span>}}<span class="cm">,</span> <span class="i">@SpecifiedDataFields</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1465 1452 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1466 1453 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1467 1454
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1468 1455 <span class="c"># Setup script usage and retrieve command line arguments specified using various options...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1469 <a name="SetupScriptUsage-"></a>1456 <span class="k">sub </span><span class="m">SetupScriptUsage</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1470 1457
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1471 1458 <span class="c"># Retrieve all the options...</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1472 1459 <span class="i">%Options</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1473 1460
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1474 1461 <span class="i">$Options</span>{<span class="w">alpha</span>} = <span class="n">0.5</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1475 1462 <span class="i">$Options</span>{<span class="w">beta</span>} = <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1476 1463
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1477 1464 <span class="i">$Options</span>{<span class="w">bitvectorcomparisonmode</span>} = <span class="q">"TanimotoSimilarity"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1478 1465
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1479 1466 <span class="i">$Options</span>{<span class="w">databasecolmode</span>} = <span class="q">'colnum'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1480 1467
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1481 1468 <span class="i">$Options</span>{<span class="w">databasecompoundidprefix</span>} = <span class="q">'Cmpd'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1482 1469 <span class="i">$Options</span>{<span class="w">databasecompoundidmode</span>} = <span class="q">'LabelPrefix'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1483 1470
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1484 1471 <span class="i">$Options</span>{<span class="w">databasedatacolsmode</span>} = <span class="q">'CompoundID'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1485 1472 <span class="i">$Options</span>{<span class="w">databasedatafieldsmode</span>} = <span class="q">'CompoundID'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1486 1473
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1487 1474 <span class="i">$Options</span>{<span class="w">distancecutoff</span>} = <span class="n">10</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1488 1475
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1489 1476 <span class="i">$Options</span>{<span class="w">referencecolmode</span>} = <span class="q">'colnum'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1490 1477
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1491 1478 <span class="i">$Options</span>{<span class="w">referencecompoundidprefix</span>} = <span class="q">'Cmpd'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1492 1479 <span class="i">$Options</span>{<span class="w">referencecompoundidmode</span>} = <span class="q">'LabelPrefix'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1493 1480
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1494 1481 <span class="i">$Options</span>{<span class="w">detail</span>} = <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1495 1482
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1496 1483 <span class="i">$Options</span>{<span class="w">fingerprintsmode</span>} = <span class="q">'AutoDetect'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1497 1484 <span class="i">$Options</span>{<span class="w">groupfusionrule</span>} = <span class="q">'Max'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1498 1485 <span class="i">$Options</span>{<span class="w">groupfusionapplycutoff</span>} = <span class="q">'Yes'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1499 1486
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1500 1487 <span class="i">$Options</span>{<span class="w">knn</span>} = <span class="q">'All'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1501 1488
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1502 1489 <span class="i">$Options</span>{<span class="w">mode</span>} = <span class="q">'MultipleReferences'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1503 1490
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1504 1491 <span class="i">$Options</span>{<span class="w">numofsimilarmolecules</span>} = <span class="n">10</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1505 1492 <span class="i">$Options</span>{<span class="w">percentsimilarmolecules</span>} = <span class="n">1</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1506 1493
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1507 1494 <span class="i">$Options</span>{<span class="w">indelim</span>} = <span class="q">'comma'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1508 1495 <span class="i">$Options</span>{<span class="w">outdelim</span>} = <span class="q">'comma'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1509 1496 <span class="i">$Options</span>{<span class="w">quote</span>} = <span class="q">'yes'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1510 1497
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1511 1498 <span class="i">$Options</span>{<span class="w">output</span>} = <span class="q">'text'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1512 1499
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1513 1500 <span class="i">$Options</span>{<span class="w">precision</span>} = <span class="n">2</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1514 1501
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1515 1502 <span class="i">$Options</span>{<span class="w">searchmode</span>} = <span class="q">'SimilaritySearch'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1516 1503
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1517 1504 <span class="i">$Options</span>{<span class="w">similarcountmode</span>} = <span class="q">'NumOfSimilar'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1518 1505
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1519 1506 <span class="i">$Options</span>{<span class="w">similaritycutoff</span>} = <span class="n">0.75</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1520 1507
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1521 1508 <span class="i">$Options</span>{<span class="w">vectorcomparisonmode</span>} = <span class="q">'TanimotoSimilarity'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1522 1509 <span class="i">$Options</span>{<span class="w">vectorcomparisonformulism</span>} = <span class="q">'AlgebraicForm'</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1523 1510
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1524 1511 <span class="k">if</span> <span class="s">(</span>!<span class="i">GetOptions</span><span class="s">(</span>\<span class="i">%Options</span><span class="cm">,</span> <span class="q">"alpha=f"</span><span class="cm">,</span> <span class="q">"beta=f"</span><span class="cm">,</span> <span class="q">"bitvectorcomparisonmode\|b=s"</span><span class="cm">,</span> <span class="q">"databasecolmode=s"</span><span class="cm">,</span> <span class="q">"databasecompoundidcol=s"</span><span class="cm">,</span> <span class="q">"databasecompoundidprefix=s"</span><span class="cm">,</span> <span class="q">"databasecompoundidfield=s"</span><span class="cm">,</span> <span class="q">"databasecompoundidmode=s"</span><span class="cm">,</span> <span class="q">"databasedatacols=s"</span><span class="cm">,</span> <span class="q">"databasedatacolsmode=s"</span><span class="cm">,</span> <span class="q">"databasedatafields=s"</span><span class="cm">,</span> <span class="q">"databasedatafieldsmode=s"</span><span class="cm">,</span> <span class="q">"databasefingerprintscol=s"</span><span class="cm">,</span> <span class="q">"databasefingerprintsfield=s"</span><span class="cm">,</span> <span class="q">"distancecutoff=f"</span><span class="cm">,</span> <span class="q">"detail\|d=i"</span><span class="cm">,</span> <span class="q">"fast\|f"</span><span class="cm">,</span> <span class="q">"fingerprintsmode=s"</span><span class="cm">,</span> <span class="q">"groupfusionrule\|g=s"</span><span class="cm">,</span> <span class="cm">,</span> <span class="q">"groupfusionapplycutoff=s"</span><span class="cm">,</span> <span class="q">"help\|h"</span><span class="cm">,</span> <span class="q">"indelim=s"</span><span class="cm">,</span> <span class="q">"knn\|k=s"</span><span class="cm">,</span> <span class="q">"mode\|m=s"</span><span class="cm">,</span> <span class="q">"numofsimilarmolecules\|n=i"</span><span class="cm">,</span> <span class="q">"outdelim=s"</span><span class="cm">,</span> <span class="q">"output=s"</span><span class="cm">,</span> <span class="q">"overwrite\|o"</span><span class="cm">,</span> <span class="q">"percentsimilarmolecules\|p=f"</span><span class="cm">,</span> <span class="q">"precision=s"</span><span class="cm">,</span> <span class="q">"quote\|q=s"</span><span class="cm">,</span> <span class="q">"referencecolmode=s"</span><span class="cm">,</span> <span class="q">"referencecompoundidcol=s"</span><span class="cm">,</span> <span class="q">"referencecompoundidprefix=s"</span><span class="cm">,</span> <span class="q">"referencecompoundidfield=s"</span><span class="cm">,</span> <span class="q">"referencecompoundidmode=s"</span><span class="cm">,</span> <span class="q">"referencefingerprintscol=s"</span><span class="cm">,</span> <span class="q">"referencefingerprintsfield=s"</span><span class="cm">,</span> <span class="q">"root\|r=s"</span><span class="cm">,</span> <span class="q">"searchmode\|s=s"</span><span class="cm">,</span> <span class="q">"similarcountmode=s"</span><span class="cm">,</span> <span class="q">"similaritycutoff=f"</span><span class="cm">,</span> <span class="q">"vectorcomparisonmode\|v=s"</span><span class="cm">,</span> <span class="q">"vectorcomparisonformulism=s"</span><span class="cm">,</span> <span class="q">"workingdir\|w=s"</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1525 1512 <span class="k">die</span> <span class="q">"\nTo get a list of valid options and their values, use \"$ScriptName -h\" or\n\"perl -S $ScriptName -h\" command and try again...\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1526 1513 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1527 1514 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">workingdir</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1528 1515 <span class="k">if</span> <span class="s">(</span>! <span class="k">-d</span> <span class="i">$Options</span>{<span class="w">workingdir</span>}<span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1529 1516 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{workingdir}, for option \"-w --workingdir\" is not a directory name.\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1530 1517 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1531 1518 <span class="k">chdir</span> <span class="i">$Options</span>{<span class="w">workingdir</span>} <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't chdir $Options{workingdir}: $! \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1532 1519 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1533 1520 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecolmode</span>} !~ <span class="q">/^(ColNum\|ColLabel)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1534 1521 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{databasecolmode}, for option \"--DatabaseColMode\" is not valid. Allowed values: ColNum, or ColLabel\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1535 1522 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1536 1523 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">databasecompoundidmode</span>} !~ <span class="q">/^(DataField\|MolName\|LabelPrefix\|MolNameOrLabelPrefix)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1537 1524 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{databasecompoundidmode}, for option \"--DatabaseCompoundIDMode\" is not valid. Allowed values: DataField, MolName, LabelPrefix or MolNameOrLabelPrefix\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1538 1525 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1539 1526 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">databasedatacolsmode</span>} !~ <span class="q">/^(All\|Specify\|CompoundID)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1540 1527 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{databasedatacolsmode}, for option \"--DatabaseDataColsMode\" is not valid. Allowed values: All, Specify, or CompoundID\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1541 1528 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1542 1529 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">databasedatafieldsmode</span>} !~ <span class="q">/^(All\|Common\|Specify\|CompoundID)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1543 1530 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{databasedatafieldsmode}, for option \"--DatabaseDataFieldsMode\" is not valid. Allowed values: All, Common, Specify, or CompoundID\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1544 1531 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1545 1532 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">detail</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1546 1533 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{detail}, for option \"-d, --detail\" is not valid. Allowed values: > 0 \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1547 1534 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1548 1535 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">fingerprintsmode</span>} !~ <span class="q">/^(AutoDetect\|FingerprintsBitVectorString\|FingerprintsVectorString)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1549 1536 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{fingerprintsmode}, for option \"--FingerprintsMode\" is not valid. Allowed values: AutoDetect, FingerprintsBitVectorString or FingerprintsVectorString \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1550 1537 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1551 1538 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">groupfusionrule</span>} !~ <span class="q">/^(Max\|Min\|Mean\|Median\|Sum\|Euclidean)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1552 1539 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{groupfusionrule}, for option \"-g, --GroupFusionRule\" is not valid. Allowed values: Max, Min, Mean, Median, Sum, Euclidean\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1553 1540 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1554 1541 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">groupfusionapplycutoff</span>} !~ <span class="q">/^(Yes\|No)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1555 1542 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{quote}, for option \"--GroupFusionApplyCutoff\" is not valid. Allowed values: Yes or No\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1556 1543 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1557 1544 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">indelim</span>} !~ <span class="q">/^(comma\|semicolon)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1558 1545 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{indelim}, for option \"--InDelim\" is not valid. Allowed values: comma, or semicolon\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1559 1546 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1560 1547 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} !~ <span class="q">/^(IndividualReference\|MultipleReferences)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1561 1548 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{mode}, for option \"-m, --mode\" is not valid. Allowed values: IndividualReference, MultipleReferences\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1562 1549 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1563 1550 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">numofsimilarmolecules</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1564 1551 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{numofsimilarmolecules}, for option \"-n, --NumOfSimilarMolecules\" is not valid. Allowed values: > 0 \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1565 1552 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1566 1553 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} !~ <span class="q">/^(comma\|semicolon\|tab)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1567 1554 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{outdelim}, for option \"--OutDelim\" is not valid. Allowed values: comma, tab, or semicolon\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1568 1555 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1569 1556 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">output</span>} !~ <span class="q">/^(SD\|text\|both)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1570 1557 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{output}, for option \"--output\" is not valid. Allowed values: SD, text, or both\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1571 1558 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1572 1559 <span class="k">if</span> <span class="s">(</span>!<span class="s">(</span><span class="i">IsFloat</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">percentsimilarmolecules</span>}<span class="s">)</span> && <span class="i">$Options</span>{<span class="w">percentsimilarmolecules</span>} > <span class="n">0</span> && <span class="i">$Options</span>{<span class="w">percentsimilarmolecules</span>} <= <span class="n">100</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1573 1560 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{percentsimilarmolecules}, for option \"-p, --PercentSimilarMolecules\" is not valid. Allowed values: > 0 and <= 100 \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1574 1561 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1575 1562 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">quote</span>} !~ <span class="q">/^(Yes\|No)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1576 1563 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{quote}, for option \"-q --quote\" is not valid. Allowed values: Yes or No\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1577 1564 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1578 1565 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">precision</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1579 1566 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{precision}, for option \"--precision\" is not valid. Allowed values: > 0 \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1580 1567 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1581 1568 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecolmode</span>} !~ <span class="q">/^(ColNum\|ColLabel)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1582 1569 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{referencecolmode}, for option \"--ReferenceColMode\" is not valid. Allowed values: ColNum, or ColLabel\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1583 1570 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1584 1571 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">referencecompoundidmode</span>} !~ <span class="q">/^(DataField\|MolName\|LabelPrefix\|MolNameOrLabelPrefix)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1585 1572 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{referencecompoundidmode}, for option \"--ReferenceCompoundIDMode\" is not valid. Allowed values: DataField, MolName, LabelPrefix or MolNameOrLabelPrefix\n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1586 1573 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1587 1574 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">searchmode</span>} !~ <span class="q">/^(SimilaritySearch\|DissimilaritySearch)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1588 1575 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{searchmode}, for option \"-s, --SearchMode\" is not valid. Allowed values: SimilaritySearch, DissimilaritySearch \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1589 1576 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1590 1577 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">similarcountmode</span>} !~ <span class="q">/^(NumOfSimilar\|PercentSimilar)$/i</span><span class="s">)</span> <span class="s">{</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1591 1578 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{similarcountmode}, for option \"--SimilarCountMode\" is not valid. Allowed values: NumOfSimilar, PercentSimilar \n"</span><span class="sc">;</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1592 1579 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1593 1580 <span class="s">}</span>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1594 1581
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1595 <a name="EOF-"></a></pre>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1596 <p> </p>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1597 <br />
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1598 <center>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1599 <img src="../../../images/h2o2.png">
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1600 </center>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1601 </body>
4816e4a8ae95 Uploaded deepakjadmin parents: diff changeset	1602 </html>

Mercurial > repos > deepakjadmin > mayatool3_test2

annotate docs/scripts/html/code/SimilaritySearchingFingerprints.html @ 0:4816e4a8ae95 draft default tip