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| author | deepakjadmin |
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| date | Wed, 20 Jan 2016 09:23:18 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/docs/scripts/html/code/ExtractFromSDFiles.html Wed Jan 20 09:23:18 2016 -0500 @@ -0,0 +1,1285 @@ +<html> +<head> +<title>MayaChemTools:Code:ExtractFromSDFiles.pl</title> +<meta http-equiv="content-type" content="text/html;charset=utf-8"> +<link rel="stylesheet" type="text/css" href="../../../css/MayaChemToolsCode.css"> +</head> +<body leftmargin="20" rightmargin="20" topmargin="10" bottommargin="10"> +<br/> +<center> +<a href="http://www.mayachemtools.org" title="MayaChemTools Home"><img src="../../../images/MayaChemToolsLogo.gif" border="0" alt="MayaChemTools"></a> +</center> +<br/> +<pre> + 1 #!/usr/bin/perl -w + 2 <span class="c">#</span> + 3 <span class="c"># $RCSfile: ExtractFromSDFiles.pl,v $</span> + 4 <span class="c"># $Date: 2015/03/22 19:11:27 $</span> + 5 <span class="c"># $Revision: 1.48 $</span> + 6 <span class="c">#</span> + 7 <span class="c"># Author: Manish Sud <msud@san.rr.com></span> + 8 <span class="c">#</span> + 9 <span class="c"># Copyright (C) 2015 Manish Sud. All rights reserved.</span> + 10 <span class="c">#</span> + 11 <span class="c"># This file is part of MayaChemTools.</span> + 12 <span class="c">#</span> + 13 <span class="c"># MayaChemTools is free software; you can redistribute it and/or modify it under</span> + 14 <span class="c"># the terms of the GNU Lesser General Public License as published by the Free</span> + 15 <span class="c"># Software Foundation; either version 3 of the License, or (at your option) any</span> + 16 <span class="c"># later version.</span> + 17 <span class="c">#</span> + 18 <span class="c"># MayaChemTools is distributed in the hope that it will be useful, but without</span> + 19 <span class="c"># any warranty; without even the implied warranty of merchantability of fitness</span> + 20 <span class="c"># for a particular purpose. See the GNU Lesser General Public License for more</span> + 21 <span class="c"># details.</span> + 22 <span class="c">#</span> + 23 <span class="c"># You should have received a copy of the GNU Lesser General Public License</span> + 24 <span class="c"># along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or</span> + 25 <span class="c"># write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,</span> + 26 <span class="c"># Boston, MA, 02111-1307, USA.</span> + 27 <span class="c">#</span> + 28 + 29 <span class="k">use</span> <span class="w">strict</span><span class="sc">;</span> + 30 <span class="k">use</span> <span class="w">FindBin</span><span class="sc">;</span> <span class="k">use</span> <span class="w">lib</span> <span class="q">"$FindBin::Bin/../lib"</span><span class="sc">;</span> + 31 <span class="k">use</span> <span class="w">Getopt::Long</span><span class="sc">;</span> + 32 <span class="k">use</span> <span class="w">File::Basename</span><span class="sc">;</span> + 33 <span class="k">use</span> <span class="w">Text::ParseWords</span><span class="sc">;</span> + 34 <span class="k">use</span> <span class="w">Benchmark</span><span class="sc">;</span> + 35 <span class="k">use</span> <span class="w">SDFileUtil</span><span class="sc">;</span> + 36 <span class="k">use</span> <span class="w">FileUtil</span><span class="sc">;</span> + 37 <span class="k">use</span> <span class="w">TextUtil</span><span class="sc">;</span> + 38 + 39 <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> + 40 + 41 <span class="c"># Autoflush STDOUT</span> + 42 <span class="i">$|</span> = <span class="n">1</span><span class="sc">;</span> + 43 + 44 <span class="c"># Starting message...</span> + 45 <span class="i">$ScriptName</span> = <span class="i">basename</span><span class="s">(</span><span class="i">$0</span><span class="s">)</span><span class="sc">;</span> + 46 <span class="k">print</span> <span class="q">"\n$ScriptName:Starting...\n\n"</span><span class="sc">;</span> + 47 <span class="i">$StartTime</span> = <span class="w">new</span> <span class="w">Benchmark</span><span class="sc">;</span> + 48 + 49 <span class="c"># Get the options and setup script...</span> + 50 <span class="i">SetupScriptUsage</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 51 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">help</span>} || <span class="i">@ARGV</span> < <span class="n">1</span><span class="s">)</span> <span class="s">{</span> + 52 <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> + 53 <span class="s">}</span> + 54 + 55 <span class="k">my</span><span class="s">(</span><span class="i">@SDFilesList</span><span class="s">)</span><span class="sc">;</span> + 56 <span class="i">@SDFilesList</span> = <span class="i">ExpandFileNames</span><span class="s">(</span>\<span class="i">@ARGV</span><span class="cm">,</span> <span class="q">"sdf sd"</span><span class="s">)</span><span class="sc">;</span> + 57 + 58 <span class="c"># Process options...</span> + 59 <span class="k">print</span> <span class="q">"Processing options...\n"</span><span class="sc">;</span> + 60 <span class="k">my</span><span class="s">(</span><span class="i">%OptionsInfo</span><span class="s">)</span><span class="sc">;</span> + 61 <span class="i">ProcessOptions</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 62 + 63 <span class="c"># Collect information about SD files...</span> + 64 <span class="k">print</span> <span class="q">"Checking input SD file(s)...\n"</span><span class="sc">;</span> + 65 <span class="k">my</span><span class="s">(</span><span class="i">%SDFilesInfo</span><span class="s">)</span><span class="sc">;</span> + 66 <span class="i">RetrieveSDFilesInfo</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 67 + 68 <span class="c"># Generate output files...</span> + 69 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 70 <span class="k">if</span> <span class="s">(</span><span class="i">@SDFilesList</span> > <span class="n">1</span><span class="s">)</span> <span class="s">{</span> + 71 <span class="k">print</span> <span class="q">"\nProcessing SD files...\n"</span><span class="sc">;</span> + 72 <span class="s">}</span> + 73 <span class="k">for</span> <span class="i">$FileIndex</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#SDFilesList</span><span class="s">)</span> <span class="s">{</span> + 74 <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">FileOkay</span>}[<span class="i">$FileIndex</span>]<span class="s">)</span> <span class="s">{</span> + 75 <span class="k">print</span> <span class="q">"\nProcessing file $SDFilesList[$FileIndex]...\n"</span><span class="sc">;</span> + 76 <span class="i">ExtractFromSDFile</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 77 <span class="s">}</span> + 78 <span class="s">}</span> + 79 <span class="k">print</span> <span class="q">"\n$ScriptName:Done...\n\n"</span><span class="sc">;</span> + 80 + 81 <span class="i">$EndTime</span> = <span class="w">new</span> <span class="w">Benchmark</span><span class="sc">;</span> + 82 <span class="i">$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> + 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">$TotalTime</span><span class="s">)</span><span class="cm">,</span> <span class="q">"\n"</span><span class="sc">;</span> + 84 + 85 <span class="c">###############################################################################</span> + 86 + 87 <span class="c"># Extract data from a SD file...</span> +<a name="ExtractFromSDFile-"></a> 88 <span class="k">sub </span><span class="m">ExtractFromSDFile</span> <span class="s">{</span> + 89 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 90 + 91 <span class="i">OpenInputAndOutputFiles</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 92 + 93 <span class="j">MODE:</span> <span class="s">{</span> + 94 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^AllDataFields$/i</span><span class="s">)</span> <span class="s">{</span> + 95 <span class="i">ExtractAllDataFields</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 96 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 97 <span class="s">}</span> + 98 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^CommonDataFields$/i</span><span class="s">)</span> <span class="s">{</span> + 99 <span class="i">ExtractCommonDataFields</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 100 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 101 <span class="s">}</span> + 102 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^DataFields$/i</span><span class="s">)</span> <span class="s">{</span> + 103 <span class="i">ExtractDataFields</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 104 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 105 <span class="s">}</span> + 106 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^(DataFieldByList|DatafieldUniqueByList)$/i</span><span class="s">)</span> <span class="s">{</span> + 107 <span class="i">ExtractDataFieldByList</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 108 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 109 <span class="s">}</span> + 110 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^DataFieldNotByList$/i</span><span class="s">)</span> <span class="s">{</span> + 111 <span class="i">ExtractDataFieldNotByList</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 112 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 113 <span class="s">}</span> + 114 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^DataFieldsByValue$/i</span><span class="s">)</span> <span class="s">{</span> + 115 <span class="i">ExtractDataFieldsByValue</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 116 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 117 <span class="s">}</span> + 118 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^DataFieldsByRegex$/i</span><span class="s">)</span> <span class="s">{</span> + 119 <span class="i">ExtractDataFieldsByRegex</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 120 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 121 <span class="s">}</span> + 122 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^RandomCmpds$/i</span><span class="s">)</span> <span class="s">{</span> + 123 <span class="i">ExtractRandomCompounds</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 124 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 125 <span class="s">}</span> + 126 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^MolNames$/i</span><span class="s">)</span> <span class="s">{</span> + 127 <span class="i">ExtractMolNames</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 128 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 129 <span class="s">}</span> + 130 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^RecordNum$/i</span><span class="s">)</span> <span class="s">{</span> + 131 <span class="i">ExtractRecordNum</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 132 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 133 <span class="s">}</span> + 134 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^RecordNums$/i</span><span class="s">)</span> <span class="s">{</span> + 135 <span class="i">ExtractRecordNums</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 136 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 137 <span class="s">}</span> + 138 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^RecordRange$/i</span><span class="s">)</span> <span class="s">{</span> + 139 <span class="i">ExtractRecordRange</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 140 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 141 <span class="s">}</span> + 142 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^2DCmpdRecords$/i</span><span class="s">)</span> <span class="s">{</span> + 143 <span class="i">Extract2DCmpdRecords</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 144 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 145 <span class="s">}</span> + 146 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^3DCmpdRecords$/i</span><span class="s">)</span> <span class="s">{</span> + 147 <span class="i">Extract3DCmpdRecords</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> + 148 <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> + 149 <span class="s">}</span> + 150 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{mode}, for option \"-m --mode\" is not valid. Allowed values: alldatafields, commondatafields, datafields, datafieldsbyvalue, datafieldbylist, datafielduniquebylist, datafieldnotbylist, molnames, randomcmpds, recordnum, recordnums, recordrange, 2dcmpdrecords, 3dcmpdrecords\n"</span><span class="sc">;</span> + 151 <span class="s">}</span> + 152 + 153 <span class="i">CloseInputAndOutputFiles</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 154 <span class="s">}</span> + 155 + 156 <span class="c"># Extract all data fields...</span> +<a name="ExtractAllDataFields-"></a> 157 <span class="k">sub </span><span class="m">ExtractAllDataFields</span> <span class="s">{</span> + 158 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 159 <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 160 + 161 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> + 162 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 163 + 164 <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 165 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 166 <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 167 + 168 <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 169 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 170 <span class="i">WriteSDFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 171 <span class="s">}</span> + 172 <span class="s">}</span> + 173 + 174 <span class="c"># Extract common data fields...</span> +<a name="ExtractCommonDataFields-"></a> 175 <span class="k">sub </span><span class="m">ExtractCommonDataFields</span> <span class="s">{</span> + 176 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 177 <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 178 + 179 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">CommonDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> + 180 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 181 + 182 <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 183 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 184 <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 185 + 186 <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 187 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 188 <span class="i">WriteSDFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 189 <span class="s">}</span> + 190 <span class="s">}</span> + 191 + 192 <span class="c"># Extract specified data fields...</span> +<a name="ExtractDataFields-"></a> 193 <span class="k">sub </span><span class="m">ExtractDataFields</span> <span class="s">{</span> + 194 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 195 <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 196 + 197 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}}<span class="sc">;</span> + 198 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 199 + 200 <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 201 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 202 <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 203 + 204 <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 205 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 206 <span class="i">WriteSDFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 207 <span class="s">}</span> + 208 <span class="s">}</span> + 209 + 210 <span class="c"># Extract data fields using a list...</span> +<a name="ExtractDataFieldByList-"></a> 211 <span class="k">sub </span><span class="m">ExtractDataFieldByList</span> <span class="s">{</span> + 212 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 213 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$SpecifiedDataFieldValuesFoundCount</span><span class="cm">,</span> <span class="i">$CurrentValue</span><span class="cm">,</span> <span class="i">$SpecifiedDataFieldLabel</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 214 + 215 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> + 216 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 217 + 218 <span class="k">for</span> <span class="i">$Value</span> <span class="s">(</span><span class="k">keys</span> <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}}<span class="s">)</span> <span class="s">{</span> + 219 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}{<span class="i">$Value</span>} = <span class="q">"NotFound"</span><span class="sc">;</span> + 220 <span class="s">}</span> + 221 <span class="i">$SpecifiedDataFieldValuesFoundCount</span> = <span class="n">0</span><span class="sc">;</span> + 222 <span class="i">$SpecifiedDataFieldLabel</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabel</span>}<span class="sc">;</span> + 223 + 224 <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 225 <span class="i">$CmpdNum</span>++<span class="sc">;</span> + 226 + 227 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 228 <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 229 + 230 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$SpecifiedDataFieldLabel</span>}<span class="s">)</span> <span class="s">{</span> + 231 <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> + 232 <span class="s">}</span> + 233 + 234 <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 235 + 236 <span class="i">$SpecifiedDataFieldLabel</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabel</span>}<span class="sc">;</span> + 237 <span class="i">$CurrentValue</span> = <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$SpecifiedDataFieldLabel</span>}<span class="sc">;</span> + 238 + 239 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}{<span class="i">$CurrentValue</span>}<span class="s">)</span> <span class="s">{</span> + 240 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedDataFieldValuesFoundCount</span> < <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValuesCount</span>}<span class="s">)</span> <span class="s">{</span> + 241 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}{<span class="i">$CurrentValue</span>} <span class="k">eq</span> <span class="q">"NotFound"</span><span class="s">)</span> <span class="s">{</span> + 242 <span class="i">$SpecifiedDataFieldValuesFoundCount</span>++<span class="sc">;</span> + 243 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}{<span class="i">$CurrentValue</span>} = <span class="q">"Found"</span><span class="sc">;</span> + 244 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^DataFieldUniqueByList$/i</span><span class="s">)</span> <span class="s">{</span> + 245 <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 246 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 247 <span class="s">}</span> + 248 <span class="s">}</span> + 249 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^DataFieldByList$/i</span><span class="s">)</span> <span class="s">{</span> + 250 <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 251 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 252 <span class="s">}</span> + 253 <span class="s">}</span> + 254 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedDataFieldValuesFoundCount</span> >= <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValuesCount</span>}<span class="s">)</span> <span class="s">{</span> + 255 <span class="k">last</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> + 256 <span class="s">}</span> + 257 <span class="s">}</span> + 258 <span class="s">}</span> + 259 <span class="s">}</span> + 260 + 261 <span class="c"># Extract data field whose values are not on the specified list...</span> +<a name="ExtractDataFieldNotByList-"></a> 262 <span class="k">sub </span><span class="m">ExtractDataFieldNotByList</span> <span class="s">{</span> + 263 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 264 <span class="k">my</span><span class="s">(</span><span class="i">$CurrentValue</span><span class="cm">,</span> <span class="i">$SpecifiedDataFieldLabel</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 265 + 266 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> + 267 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 268 + 269 <span class="i">$SpecifiedDataFieldLabel</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabel</span>}<span class="sc">;</span> + 270 + 271 <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 272 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 273 <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 274 + 275 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$SpecifiedDataFieldLabel</span>}<span class="s">)</span> <span class="s">{</span> + 276 <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> + 277 <span class="s">}</span> + 278 + 279 <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 280 + 281 <span class="i">$CurrentValue</span> = <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$SpecifiedDataFieldLabel</span>}<span class="sc">;</span> + 282 + 283 <span class="c"># Make sure the current value is not empty and is not only specified list of values...</span> + 284 <span class="k">if</span> <span class="s">(</span><span class="i">IsEmpty</span><span class="s">(</span><span class="i">$CurrentValue</span><span class="s">)</span> || <span class="k">exists</span> <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}{<span class="i">$CurrentValue</span>}<span class="s">)</span> <span class="s">{</span> + 285 <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> + 286 <span class="s">}</span> + 287 + 288 <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 289 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 290 <span class="s">}</span> + 291 <span class="s">}</span> + 292 + 293 <span class="c"># Extract data fields by value...</span> +<a name="ExtractDataFieldsByValue-"></a> 294 <span class="k">sub </span><span class="m">ExtractDataFieldsByValue</span> <span class="s">{</span> + 295 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 296 <span class="k">my</span><span class="s">(</span><span class="i">$Label</span><span class="cm">,</span> <span class="i">$CurrentValue</span><span class="cm">,</span> <span class="i">$SpecifiedCriterion</span><span class="cm">,</span> <span class="i">$SpecifiedValue</span><span class="cm">,</span> <span class="i">$ViolationCount</span><span class="cm">,</span> <span class="i">$Nothing</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 297 + 298 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> + 299 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 300 + 301 <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 302 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 303 <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 304 + 305 <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 306 <span class="i">$ViolationCount</span> = <span class="n">0</span><span class="sc">;</span> + 307 + 308 <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}}<span class="s">)</span> <span class="s">{</span> + 309 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$Label</span>}<span class="s">)</span> <span class="s">{</span> + 310 <span class="i">$CurrentValue</span> = <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$Label</span>}<span class="sc">;</span> + 311 <span class="i">$SpecifiedCriterion</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldCriteriaMap</span>}{<span class="i">$Label</span>}<span class="sc">;</span> + 312 <span class="i">$SpecifiedValue</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValuesMap</span>}{<span class="i">$Label</span>}<span class="sc">;</span> + 313 + 314 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">NumericalComparison</span>}<span class="s">)</span> <span class="s">{</span> + 315 <span class="j">CRITERION:</span> <span class="s">{</span> + 316 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedCriterion</span> =~ <span class="q">/^eq$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> != <span class="i">$SpecifiedValue</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> + 317 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedCriterion</span> =~ <span class="q">/^le$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> > <span class="i">$SpecifiedValue</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> + 318 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedCriterion</span> =~ <span class="q">/^ge$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> < <span class="i">$SpecifiedValue</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> + 319 <span class="i">$Nothing</span> = <span class="n">1</span><span class="sc">;</span> + 320 <span class="s">}</span> + 321 <span class="s">}</span> + 322 <span class="k">else</span> <span class="s">{</span> + 323 <span class="j">CRITERION:</span> <span class="s">{</span> + 324 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedCriterion</span> =~ <span class="q">/^eq$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> <span class="k">ne</span> <span class="i">$SpecifiedValue</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> + 325 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedCriterion</span> =~ <span class="q">/^le$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> <span class="k">gt</span> <span class="i">$SpecifiedValue</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> + 326 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedCriterion</span> =~ <span class="q">/^ge$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> <span class="k">lt</span> <span class="i">$SpecifiedValue</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> + 327 <span class="i">$Nothing</span> = <span class="n">1</span><span class="sc">;</span> + 328 <span class="s">}</span> + 329 <span class="s">}</span> + 330 <span class="s">}</span> + 331 <span class="s">}</span> + 332 <span class="k">if</span> <span class="s">(</span><span class="i">$ViolationCount</span> <= <span class="i">$OptionsInfo</span>{<span class="w">Violations</span>}<span class="s">)</span> <span class="s">{</span> + 333 <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 334 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 335 <span class="s">}</span> + 336 <span class="s">}</span> + 337 <span class="s">}</span> + 338 + 339 <span class="c"># Extract data fields by value using regular expression match...</span> +<a name="ExtractDataFieldsByRegex-"></a> 340 <span class="k">sub </span><span class="m">ExtractDataFieldsByRegex</span> <span class="s">{</span> + 341 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 342 <span class="k">my</span><span class="s">(</span><span class="i">$Label</span><span class="cm">,</span> <span class="i">$CurrentValue</span><span class="cm">,</span> <span class="i">$SpecifiedRegexCriterion</span><span class="cm">,</span> <span class="i">$SpecifiedRegex</span><span class="cm">,</span> <span class="i">$ViolationCount</span><span class="cm">,</span> <span class="i">$Nothing</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 343 + 344 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> + 345 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 346 + 347 <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 348 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 349 <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 350 + 351 <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 352 <span class="i">$ViolationCount</span> = <span class="n">0</span><span class="sc">;</span> + 353 + 354 <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}}<span class="s">)</span> <span class="s">{</span> + 355 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$Label</span>}<span class="s">)</span> <span class="s">{</span> + 356 <span class="i">$CurrentValue</span> = <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$Label</span>}<span class="sc">;</span> + 357 <span class="i">$SpecifiedRegexCriterion</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldRegexCriteriaMap</span>}{<span class="i">$Label</span>}<span class="sc">;</span> + 358 <span class="i">$SpecifiedRegex</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldRegexMap</span>}{<span class="i">$Label</span>}<span class="sc">;</span> + 359 + 360 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">RegexIgnoreCase</span>}<span class="s">)</span> <span class="s">{</span> + 361 <span class="j">CRITERION:</span> <span class="s">{</span> + 362 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedRegexCriterion</span> =~ <span class="q">/^eq$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> !~ <span class="q">/$SpecifiedRegex/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> + 363 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedRegexCriterion</span> =~ <span class="q">/^ne$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> =~ <span class="q">/$SpecifiedRegex/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> + 364 <span class="i">$Nothing</span> = <span class="n">1</span><span class="sc">;</span> + 365 <span class="s">}</span> + 366 <span class="s">}</span> + 367 <span class="k">else</span> <span class="s">{</span> + 368 <span class="j">CRITERION:</span> <span class="s">{</span> + 369 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedRegexCriterion</span> =~ <span class="q">/^eq$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> !~ <span class="q">/$SpecifiedRegex/</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> + 370 <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedRegexCriterion</span> =~ <span class="q">/^ne$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> =~ <span class="q">/$SpecifiedRegex/</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> + 371 <span class="i">$Nothing</span> = <span class="n">1</span><span class="sc">;</span> + 372 <span class="s">}</span> + 373 <span class="s">}</span> + 374 <span class="s">}</span> + 375 <span class="s">}</span> + 376 <span class="k">if</span> <span class="s">(</span><span class="i">$ViolationCount</span> <= <span class="i">$OptionsInfo</span>{<span class="w">Violations</span>}<span class="s">)</span> <span class="s">{</span> + 377 <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 378 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 379 <span class="s">}</span> + 380 <span class="s">}</span> + 381 <span class="s">}</span> + 382 + 383 <span class="c"># Extract random compounds...</span> +<a name="ExtractRandomCompounds-"></a> 384 <span class="k">sub </span><span class="m">ExtractRandomCompounds</span> <span class="s">{</span> + 385 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 386 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$CmpdCount</span><span class="cm">,</span> <span class="i">$RandomCycleCount</span><span class="cm">,</span> <span class="i">$RandomIndex</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="cm">,</span> <span class="i">%RandomCmpdIndexMap</span><span class="s">)</span><span class="sc">;</span> + 387 + 388 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> + 389 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 390 + 391 <span class="i">$CmpdCount</span> = <span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}[<span class="i">$FileIndex</span>]<span class="sc">;</span> + 392 <span class="k">srand</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Seed</span>}<span class="s">)</span><span class="sc">;</span> + 393 <span class="i">$RandomCycleCount</span> = <span class="n">0</span><span class="sc">;</span> + 394 + 395 <span class="i">%RandomCmpdIndexMap</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 396 <span class="k">while</span> <span class="s">(</span><span class="i">$RandomCycleCount</span> <= <span class="i">$CmpdCount</span> && <span class="i">$RandomCycleCount</span> <= <span class="i">$OptionsInfo</span>{<span class="w">NumOfCmpds</span>}<span class="s">)</span> <span class="s">{</span> + 397 <span class="i">$RandomCycleCount</span>++<span class="sc">;</span> + 398 <span class="i">$RandomIndex</span> = <span class="k">int</span> <span class="s">(</span><span class="k">rand</span> <span class="i">$CmpdCount</span><span class="s">)</span> + <span class="n">1</span><span class="sc">;</span> + 399 <span class="i">$RandomCmpdIndexMap</span>{<span class="i">$RandomIndex</span>} = <span class="i">$RandomIndex</span><span class="sc">;</span> + 400 <span class="s">}</span> + 401 + 402 <span class="i">$CmpdNum</span> = <span class="n">0</span><span class="sc">;</span> + 403 <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 404 <span class="i">$CmpdNum</span>++<span class="sc">;</span> + 405 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$RandomCmpdIndexMap</span>{<span class="i">$CmpdNum</span>}<span class="s">)</span> <span class="s">{</span> + 406 <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> + 407 <span class="s">}</span> + 408 + 409 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 410 + 411 <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 412 + 413 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> + 414 <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 415 <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 416 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 417 <span class="s">}</span> + 418 <span class="s">}</span> + 419 <span class="s">}</span> + 420 + 421 <span class="c"># Extract mol names...</span> +<a name="ExtractMolNames-"></a> 422 <span class="k">sub </span><span class="m">ExtractMolNames</span> <span class="s">{</span> + 423 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 424 <span class="k">my</span><span class="s">(</span><span class="i">$MolName</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 425 + 426 <span class="k">push</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}}<span class="cm">,</span> <span class="q">"MolName"</span><span class="sc">;</span> + 427 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 428 + 429 <span class="i">$NewTextFileRef</span> = <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>}<span class="sc">;</span> + 430 <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 431 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 432 <span class="i">$MolName</span> = <span class="i">QuoteAWord</span><span class="s">(</span><span class="i">ParseCmpdMolNameLine</span><span class="s">(</span><span class="i">$CmpdLines</span>[<span class="n">0</span>]<span class="s">)</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span> + 433 <span class="k">print</span> <span class="i">$NewTextFileRef</span> <span class="q">"$MolName\n"</span><span class="sc">;</span> + 434 <span class="s">}</span> + 435 <span class="s">}</span> + 436 + 437 <span class="c"># Extract a specific compound record...</span> +<a name="ExtractRecordNum-"></a> 438 <span class="k">sub </span><span class="m">ExtractRecordNum</span> <span class="s">{</span> + 439 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 440 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 441 + 442 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> + 443 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 444 + 445 <span class="i">$CmpdNum</span> = <span class="n">0</span><span class="sc">;</span> + 446 + 447 <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 448 <span class="i">$CmpdNum</span>++<span class="sc">;</span> + 449 <span class="k">if</span> <span class="s">(</span><span class="i">$CmpdNum</span> != <span class="i">$OptionsInfo</span>{<span class="w">RecordNum</span>}<span class="s">)</span> <span class="s">{</span> + 450 <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> + 451 <span class="s">}</span> + 452 + 453 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 454 <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 455 + 456 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> + 457 <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 458 <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 459 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 460 <span class="s">}</span> + 461 <span class="k">last</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> + 462 <span class="s">}</span> + 463 <span class="s">}</span> + 464 + 465 <span class="c"># Extract a specific compound records...</span> +<a name="ExtractRecordNums-"></a> 466 <span class="k">sub </span><span class="m">ExtractRecordNums</span> <span class="s">{</span> + 467 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 468 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$CmpdCount</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 469 + 470 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> + 471 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 472 + 473 <span class="i">$CmpdNum</span> = <span class="n">0</span><span class="sc">;</span> + 474 <span class="i">$CmpdCount</span> = <span class="n">0</span><span class="sc">;</span> + 475 + 476 <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 477 <span class="i">$CmpdNum</span>++<span class="sc">;</span> + 478 + 479 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$OptionsInfo</span>{<span class="w">RecordNums</span>}{<span class="i">$CmpdNum</span>}<span class="s">)</span> <span class="s">{</span> + 480 <span class="i">$CmpdCount</span>++<span class="sc">;</span> + 481 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 482 + 483 <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 484 + 485 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> + 486 <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 487 <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 488 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 489 <span class="s">}</span> + 490 <span class="s">}</span> + 491 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CmpdNum</span> > <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsMax</span>} || <span class="i">$CmpdCount</span> >= <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsCount</span>}<span class="s">)</span> <span class="s">{</span> + 492 <span class="k">last</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> + 493 <span class="s">}</span> + 494 <span class="s">}</span> + 495 <span class="s">}</span> + 496 + 497 + 498 <span class="c"># Extract compounds in a specific record range...</span> +<a name="ExtractRecordRange-"></a> 499 <span class="k">sub </span><span class="m">ExtractRecordRange</span> <span class="s">{</span> + 500 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 501 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 502 + 503 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> + 504 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 505 + 506 <span class="i">$CmpdNum</span> = <span class="n">0</span><span class="sc">;</span> + 507 <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 508 <span class="i">$CmpdNum</span>++<span class="sc">;</span> + 509 + 510 <span class="k">if</span> <span class="s">(</span><span class="i">$CmpdNum</span> >= <span class="i">$OptionsInfo</span>{<span class="w">StartRecordNum</span>} && <span class="i">$CmpdNum</span> <= <span class="i">$OptionsInfo</span>{<span class="w">EndRecordNum</span>}<span class="s">)</span> <span class="s">{</span> + 511 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 512 + 513 <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 514 + 515 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> + 516 <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 517 <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 518 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 519 <span class="s">}</span> + 520 <span class="s">}</span> + 521 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CmpdNum</span> > <span class="i">$OptionsInfo</span>{<span class="w">EndRecordNum</span>}<span class="s">)</span> <span class="s">{</span> + 522 <span class="k">last</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> + 523 <span class="s">}</span> + 524 <span class="s">}</span> + 525 <span class="s">}</span> + 526 + 527 <span class="c"># Extract 2D compound records...</span> +<a name="Extract2DCmpdRecords-"></a> 528 <span class="k">sub </span><span class="m">Extract2DCmpdRecords</span> <span class="s">{</span> + 529 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 530 <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 531 + 532 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> + 533 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 534 + 535 + 536 <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 537 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 538 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsCmpd2D</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 539 <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> + 540 <span class="s">}</span> + 541 + 542 <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 543 + 544 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> + 545 <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 546 <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 547 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 548 <span class="s">}</span> + 549 <span class="s">}</span> + 550 <span class="s">}</span> + 551 + 552 <span class="c"># Extract 3D compound records...</span> +<a name="Extract3DCmpdRecords-"></a> 553 <span class="k">sub </span><span class="m">Extract3DCmpdRecords</span> <span class="s">{</span> + 554 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 555 <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 556 + 557 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> + 558 <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 559 + 560 + 561 <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 562 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 563 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsCmpd3D</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 564 <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> + 565 <span class="s">}</span> + 566 + 567 <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 568 + 569 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> + 570 <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 571 <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 572 <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 573 <span class="s">}</span> + 574 <span class="s">}</span> + 575 <span class="s">}</span> + 576 + 577 + 578 <span class="c"># Open input and output files...</span> +<a name="OpenInputAndOutputFiles-"></a> 579 <span class="k">sub </span><span class="m">OpenInputAndOutputFiles</span> <span class="s">{</span> + 580 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> + 581 + 582 <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>} = <span class="k">undef</span><span class="sc">;</span> + 583 <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>} = <span class="k">undef</span><span class="sc">;</span> + 584 + 585 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>} && <span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> + 586 <span class="k">print</span> <span class="q">"Generating files $SDFilesInfo{NewSDFileName}[$FileIndex] and $SDFilesInfo{NewTextFileName}[$FileIndex]...\n"</span><span class="sc">;</span> + 587 <span class="s">}</span> + 588 <span class="k">elsif</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> + 589 <span class="k">print</span> <span class="q">"Generating file $SDFilesInfo{NewSDFileName}[$FileIndex]...\n"</span><span class="sc">;</span> + 590 <span class="s">}</span> + 591 <span class="k">else</span> <span class="s">{</span> + 592 <span class="k">print</span> <span class="q">"Generating file $SDFilesInfo{NewTextFileName}[$FileIndex]...\n"</span><span class="sc">;</span> + 593 <span class="s">}</span> + 594 + 595 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> + 596 <span class="k">open</span> <span class="w">NEWSDFILE</span><span class="cm">,</span> <span class="q">">$SDFilesInfo{NewSDFileName}[$FileIndex]"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $SDFilesInfo{NewSDFileName}[$FileIndex]: $! \n"</span><span class="sc">;</span> + 597 <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>} = \<span class="i">*NEWSDFILE</span><span class="sc">;</span> + 598 <span class="s">}</span> + 599 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> + 600 <span class="k">open</span> <span class="w">NEWTEXTFILE</span><span class="cm">,</span> <span class="q">">$SDFilesInfo{NewTextFileName}[$FileIndex]"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $SDFilesInfo{NewTextFileName}[$FileIndex]: $! \n"</span><span class="sc">;</span> + 601 <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>} = \<span class="i">*NEWTEXTFILE</span><span class="sc">;</span> + 602 <span class="s">}</span> + 603 + 604 <span class="k">open</span> <span class="w">SDFILE</span><span class="cm">,</span> <span class="q">"$SDFilesList[$FileIndex]"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $SDFilesList[$FileIndex]: $! \n"</span><span class="sc">;</span> + 605 <span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>} = \<span class="i">*SDFILE</span><span class="sc">;</span> + 606 + 607 <span class="s">}</span> + 608 + 609 <span class="c"># Close open input and output files...</span> +<a name="CloseInputAndOutputFiles-"></a> 610 <span class="k">sub </span><span class="m">CloseInputAndOutputFiles</span> <span class="s">{</span> + 611 <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>}<span class="s">)</span> <span class="s">{</span> + 612 <span class="k">close</span> <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>}<span class="sc">;</span> + 613 <span class="s">}</span> + 614 <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>}<span class="s">)</span> <span class="s">{</span> + 615 <span class="k">close</span> <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>}<span class="sc">;</span> + 616 <span class="s">}</span> + 617 + 618 <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span> <span class="s">{</span> + 619 <span class="k">close</span> <span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="sc">;</span> + 620 <span class="s">}</span> + 621 + 622 <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>} = <span class="k">undef</span><span class="sc">;</span> + 623 <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>} = <span class="k">undef</span><span class="sc">;</span> + 624 <span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>} = <span class="k">undef</span><span class="sc">;</span> + 625 <span class="s">}</span> + 626 + 627 <span class="c"># Write out column labels for text file...</span> +<a name="WriteTextFileColLabels-"></a> 628 <span class="k">sub </span><span class="m">WriteTextFileColLabels</span> <span class="s">{</span> + 629 <span class="k">my</span><span class="s">(</span><span class="i">$ColLabelsLine</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="s">)</span><span class="sc">;</span> + 630 + 631 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> + 632 <span class="k">return</span><span class="sc">;</span> + 633 <span class="s">}</span> + 634 <span class="i">$NewTextFileRef</span> = <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>}<span class="sc">;</span> + 635 + 636 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputStrDataString</span>}<span class="s">)</span> <span class="s">{</span> + 637 <span class="c"># Append structure data string label...</span> + 638 <span class="k">my</span><span class="s">(</span><span class="i">@DataLabels</span><span class="s">)</span><span class="sc">;</span> + 639 + 640 <span class="i">@DataLabels</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 641 <span class="k">push</span> <span class="i">@DataLabels</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}}<span class="sc">;</span> + 642 <span class="k">push</span> <span class="i">@DataLabels</span><span class="cm">,</span> <span class="q">"StructureDataString"</span><span class="sc">;</span> + 643 + 644 <span class="i">$ColLabelsLine</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@DataLabels</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span> + 645 <span class="s">}</span> + 646 <span class="k">else</span> <span class="s">{</span> + 647 <span class="i">$ColLabelsLine</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span> + 648 <span class="s">}</span> + 649 <span class="k">print</span> <span class="i">$NewTextFileRef</span> <span class="q">"$ColLabelsLine\n"</span><span class="sc">;</span> + 650 <span class="s">}</span> + 651 + 652 <span class="c"># Setup values for data fields...</span> +<a name="SetupDataValues-"></a> 653 <span class="k">sub </span><span class="m">SetupDataValues</span> <span class="s">{</span> + 654 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataValues</span>}} = <span class="k">map</span> <span class="s">{</span> <span class="k">exists</span> <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$_</span>} ? <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$_</span>} <span class="co">:</span> <span class="q">""</span> <span class="s">}</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}}<span class="sc">;</span> + 655 <span class="s">}</span> + 656 + 657 <span class="c"># Write out structure data and specific data fields to SD file...</span> +<a name="WriteSDFileCmpdData-"></a> 658 <span class="k">sub </span><span class="m">WriteSDFileCmpdData</span> <span class="s">{</span> + 659 <span class="k">my</span><span class="s">(</span><span class="i">$MolString</span><span class="cm">,</span> <span class="i">$Count</span><span class="cm">,</span> <span class="i">$NewSDFileRef</span><span class="s">)</span><span class="sc">;</span> + 660 + 661 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> + 662 <span class="k">return</span><span class="sc">;</span> + 663 <span class="s">}</span> + 664 + 665 <span class="i">$NewSDFileRef</span> = <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>}<span class="sc">;</span> + 666 + 667 <span class="s">(</span><span class="i">$MolString</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"M END"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 668 <span class="i">$MolString</span> .= <span class="q">"M END"</span><span class="sc">;</span> + 669 <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">"$MolString\n"</span><span class="sc">;</span> + 670 + 671 <span class="k">for</span> <span class="i">$Count</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}}<span class="s">)</span> <span class="s">{</span> + 672 <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">"> <$SDFilesInfo{DataLabels}[$Count]>\n$SDFilesInfo{DataValues}[$Count]\n\n"</span><span class="sc">;</span> + 673 <span class="s">}</span> + 674 <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">"\$\$\$\$\n"</span><span class="sc">;</span> + 675 <span class="s">}</span> + 676 + 677 <span class="c"># Write out compound string...</span> +<a name="WriteSDFileCmpdString-"></a> 678 <span class="k">sub </span><span class="m">WriteSDFileCmpdString</span> <span class="s">{</span> + 679 <span class="k">my</span><span class="s">(</span><span class="i">$NewSDFileRef</span><span class="s">)</span><span class="sc">;</span> + 680 + 681 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> + 682 <span class="k">return</span><span class="sc">;</span> + 683 <span class="s">}</span> + 684 + 685 <span class="i">$NewSDFileRef</span> = <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>}<span class="sc">;</span> + 686 <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">"$SDFilesInfo{CmpdString}\n"</span><span class="sc">;</span> + 687 <span class="s">}</span> + 688 + 689 <span class="c"># Write out data for text file...</span> +<a name="WriteTextFileCmpdData-"></a> 690 <span class="k">sub </span><span class="m">WriteTextFileCmpdData</span> <span class="s">{</span> + 691 <span class="k">my</span><span class="s">(</span><span class="i">$DataValuesLine</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="s">)</span><span class="sc">;</span> + 692 + 693 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> + 694 <span class="k">return</span><span class="sc">;</span> + 695 <span class="s">}</span> + 696 + 697 <span class="i">$NewTextFileRef</span> = <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>}<span class="sc">;</span> + 698 <span class="i">$DataValuesLine</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataValues</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> + 699 + 700 <span class="c"># Handle multiple lines data values for data fields by joining 'em using semicolons...</span> + 701 <span class="k">if</span> <span class="s">(</span><span class="i">$DataValuesLine</span> =~ <span class="q">/\n/</span><span class="s">)</span> <span class="s">{</span> + 702 <span class="i">$DataValuesLine</span> =~ <span class="q">s/\n/;/g</span><span class="sc">;</span> + 703 <span class="s">}</span> + 704 + 705 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputStrDataString</span>}<span class="s">)</span> <span class="s">{</span> + 706 <span class="c"># Append structure data string...</span> + 707 <span class="k">my</span><span class="s">(</span><span class="i">$StrDataString</span><span class="cm">,</span> <span class="i">$OutQuoteValue</span><span class="cm">,</span> <span class="i">$OutDelim</span><span class="cm">,</span> <span class="i">$StrDataStringDelimiter</span><span class="s">)</span><span class="sc">;</span> + 708 + 709 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrDataStringWithFields</span>}<span class="s">)</span> <span class="s">{</span> + 710 <span class="i">$StrDataString</span> = <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 711 <span class="s">}</span> + 712 <span class="k">else</span> <span class="s">{</span> + 713 <span class="s">(</span><span class="i">$StrDataString</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"M END"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> + 714 <span class="i">$StrDataString</span> .= <span class="q">"M END"</span><span class="sc">;</span> + 715 <span class="s">}</span> + 716 <span class="i">$StrDataStringDelimiter</span> = <span class="i">$OptionsInfo</span>{<span class="w">StrDataStringDelimiter</span>}<span class="sc">;</span> + 717 <span class="i">$StrDataString</span> =~ <span class="q">s/\n/$StrDataStringDelimiter/g</span><span class="sc">;</span> + 718 + 719 <span class="i">$OutDelim</span> = <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="sc">;</span> + 720 <span class="i">$OutQuoteValue</span> = <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>} ? <span class="q">"\""</span> <span class="co">:</span> <span class="q">""</span><span class="sc">;</span> + 721 + 722 <span class="k">print</span> <span class="i">$NewTextFileRef</span> <span class="q">"$DataValuesLine${OutDelim}${OutQuoteValue}${StrDataString}${OutQuoteValue}\n"</span><span class="sc">;</span> + 723 <span class="s">}</span> + 724 <span class="k">else</span> <span class="s">{</span> + 725 <span class="k">print</span> <span class="i">$NewTextFileRef</span> <span class="q">"$DataValuesLine\n"</span><span class="sc">;</span> + 726 <span class="s">}</span> + 727 <span class="s">}</span> + 728 + 729 <span class="c"># Retrieve information about input SD files...</span> +<a name="RetrieveSDFilesInfo-"></a> 730 <span class="k">sub </span><span class="m">RetrieveSDFilesInfo</span> <span class="s">{</span> + 731 <span class="k">my</span><span class="s">(</span><span class="i">$SDFile</span><span class="cm">,</span> <span class="i">$Index</span><span class="cm">,</span> <span class="i">$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">$NewFileName</span><span class="cm">,</span> <span class="i">$NewSDFileName</span><span class="cm">,</span> <span class="i">$NewTextFileName</span><span class="cm">,</span> <span class="i">$CmpdCount</span><span class="s">)</span><span class="sc">;</span> + 732 + 733 <span class="i">%SDFilesInfo</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 734 + 735 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">FileOkay</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 736 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 737 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileName</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 738 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileName</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 739 + 740 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 741 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">CommonDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 742 + 743 <span class="j">FILELIST:</span> <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#SDFilesList</span><span class="s">)</span> <span class="s">{</span> + 744 <span class="i">$SDFile</span> = <span class="i">$SDFilesList</span>[<span class="i">$Index</span>]<span class="sc">;</span> + 745 + 746 <span class="i">$SDFilesInfo</span>{<span class="w">FileOkay</span>}[<span class="i">$Index</span>] = <span class="n">0</span><span class="sc">;</span> + 747 + 748 <span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}[<span class="i">$Index</span>] = <span class="n">0</span><span class="sc">;</span> + 749 <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileName</span>}[<span class="i">$Index</span>] = <span class="q">""</span><span class="sc">;</span> + 750 <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileName</span>}[<span class="i">$Index</span>] = <span class="q">""</span><span class="sc">;</span> + 751 + 752 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$Index</span>]} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 753 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">CommonDataFieldLabels</span>}[<span class="i">$Index</span>]} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 754 + 755 <span class="k">if</span> <span class="s">(</span>!<span class="s">(</span><span class="k">-e</span> <span class="i">$SDFile</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 756 <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: It doesn't exist\n"</span><span class="sc">;</span> + 757 <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> + 758 <span class="s">}</span> + 759 + 760 <span class="k">if</span> <span class="s">(</span>!<span class="i">CheckFileType</span><span class="s">(</span><span class="i">$SDFile</span><span class="cm">,</span> <span class="q">"sd sdf"</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 761 <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: It's not a SD file\n"</span><span class="sc">;</span> + 762 <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> + 763 <span class="s">}</span> + 764 + 765 <span class="c"># Generate appropriate name for the new output file.</span> + 766 <span class="i">$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> + 767 <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">$FileExt</span><span class="s">)</span> = <span class="i">ParseFileName</span><span class="s">(</span><span class="i">$SDFile</span><span class="s">)</span><span class="sc">;</span> + 768 <span class="i">$NewFileName</span> = <span class="i">$FileName</span><span class="sc">;</span> + 769 <span class="i">$NewFileName</span> = <span class="i">$FileName</span> . <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>}<span class="sc">;</span> + 770 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>} && <span class="s">(</span><span class="i">@SDFilesList</span> == <span class="n">1</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 771 <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> + 772 <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> + 773 <span class="i">$NewFileName</span> = <span class="i">$RootFileName</span><span class="sc">;</span> + 774 <span class="s">}</span> + 775 <span class="k">else</span> <span class="s">{</span> + 776 <span class="i">$NewFileName</span> = <span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>}<span class="sc">;</span> + 777 <span class="s">}</span> + 778 <span class="s">}</span> + 779 <span class="i">$NewSDFileName</span> = <span class="i">$NewFileName</span> . <span class="q">".$OptionsInfo{SDFileExt}"</span><span class="sc">;</span> + 780 <span class="i">$NewTextFileName</span> = <span class="i">$NewFileName</span> . <span class="q">".$OptionsInfo{TextFileExt}"</span><span class="sc">;</span> + 781 + 782 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> + 783 <span class="k">if</span> <span class="s">(</span><span class="k">lc</span><span class="s">(</span><span class="i">$NewSDFileName</span><span class="s">)</span> <span class="k">eq</span> <span class="k">lc</span><span class="s">(</span><span class="i">$SDFile</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 784 <span class="k">warn</span> <span class="q">"Warning: Ignoring input file $SDFile: Same output, $NewSDFileName, and input file names.\n"</span><span class="sc">;</span> + 785 <span class="k">print</span> <span class="q">"Specify a different name using \"-r --root\" option or use default name.\n"</span><span class="sc">;</span> + 786 <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> + 787 <span class="s">}</span> + 788 <span class="s">}</span> + 789 + 790 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">Overwrite</span>}<span class="s">)</span> <span class="s">{</span> + 791 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> + 792 <span class="k">if</span> <span class="s">(</span><span class="k">-e</span> <span class="i">$NewSDFileName</span><span class="s">)</span> <span class="s">{</span> + 793 <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: New file, $NewSDFileName, already exists\n"</span><span class="sc">;</span> + 794 <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> + 795 <span class="s">}</span> + 796 <span class="s">}</span> + 797 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> + 798 <span class="k">if</span> <span class="s">(</span><span class="k">-e</span> <span class="i">$NewTextFileName</span><span class="s">)</span> <span class="s">{</span> + 799 <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: New file, $NewTextFileName, already exists\n"</span><span class="sc">;</span> + 800 <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> + 801 <span class="s">}</span> + 802 <span class="s">}</span> + 803 <span class="s">}</span> + 804 + 805 <span class="k">if</span> <span class="s">(</span>!<span class="k">open</span> <span class="w">SDFILE</span><span class="cm">,</span> <span class="q">"$SDFile"</span><span class="s">)</span> <span class="s">{</span> + 806 <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: Couldn't open it: $! \n"</span><span class="sc">;</span> + 807 <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> + 808 <span class="s">}</span> + 809 + 810 <span class="k">my</span><span class="s">(</span><span class="i">$CountCmpds</span><span class="cm">,</span> <span class="i">$CollectDataFields</span><span class="s">)</span><span class="sc">;</span> + 811 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="cm">,</span> <span class="i">@DataFieldLabels</span><span class="cm">,</span> <span class="i">%DataFieldLabelsMap</span><span class="cm">,</span><span class="i">@CommonDataFieldLabels</span><span class="s">)</span><span class="sc">;</span> + 812 + 813 <span class="i">$CountCmpds</span> = <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^randomcmpds$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> + 814 + 815 <span class="i">$CollectDataFields</span> = <span class="s">(</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^(alldatafields|commondatafields|randomcmpds)$/i</span> && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^(datafieldsbyvalue|datafieldsbyregex)$/i</span> && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^datafieldbylist$/i</span> && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^datafielduniquebylist$/i</span> && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^datafieldnotbylist$/i</span> && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^recordnum$/i</span> && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^recordnums$/i</span> && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^recordrange$/i</span> && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</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> + 816 + 817 <span class="i">$CmpdCount</span> = <span class="n">0</span><span class="sc">;</span> + 818 <span class="k">if</span> <span class="s">(</span><span class="i">$CountCmpds</span> || <span class="i">$CollectDataFields</span><span class="s">)</span> <span class="s">{</span> + 819 <span class="i">@DataFieldLabels</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 820 <span class="i">@CommonDataFieldLabels</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 821 <span class="i">%DataFieldLabelsMap</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 822 <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$CmpdString</span> = <span class="i">ReadCmpdString</span><span class="s">(</span>\<span class="i">*SDFILE</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> + 823 <span class="i">$CmpdCount</span>++<span class="sc">;</span> + 824 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^recordnum$/i</span><span class="s">)</span> <span class="s">{</span> + 825 <span class="k">if</span> <span class="s">(</span><span class="i">$CmpdCount</span> == <span class="i">$OptionsInfo</span>{<span class="w">RecordNum</span>}<span class="s">)</span> <span class="s">{</span> + 826 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> + 827 <span class="i">@DataFieldLabels</span> = <span class="i">GetCmpdDataHeaderLabels</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 828 <span class="k">last</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> + 829 <span class="s">}</span> + 830 <span class="s">}</span> + 831 <span class="k">if</span> <span class="s">(</span><span class="i">$CollectDataFields</span><span class="s">)</span> <span class="s">{</span> + 832 <span class="k">my</span><span class="s">(</span><span class="i">$Label</span><span class="s">)</span><span class="sc">;</span> + 833 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> + 834 <span class="c"># Process compound data header labels and figure out which ones are present for</span> + 835 <span class="c"># all the compounds...</span> + 836 <span class="k">if</span> <span class="s">(</span><span class="i">@DataFieldLabels</span><span class="s">)</span> <span class="s">{</span> + 837 <span class="k">my</span> <span class="s">(</span><span class="i">@CmpdDataFieldLabels</span><span class="s">)</span> = <span class="i">GetCmpdDataHeaderLabels</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 838 <span class="k">my</span><span class="s">(</span><span class="i">%CmpdDataFieldLabelsMap</span><span class="s">)</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 839 <span class="c"># Setup a map for the current labels...</span> + 840 <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@CmpdDataFieldLabels</span><span class="s">)</span> <span class="s">{</span> + 841 <span class="i">$CmpdDataFieldLabelsMap</span>{<span class="i">$Label</span>} = <span class="q">"PresentInSome"</span><span class="sc">;</span> + 842 <span class="s">}</span> + 843 <span class="c"># Check the presence old labels for this compound; otherwise, mark 'em new...</span> + 844 <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@DataFieldLabels</span><span class="s">)</span> <span class="s">{</span> + 845 <span class="k">if</span> <span class="s">(</span>!<span class="i">$CmpdDataFieldLabelsMap</span>{<span class="i">$Label</span>}<span class="s">)</span> <span class="s">{</span> + 846 <span class="i">$DataFieldLabelsMap</span>{<span class="i">$Label</span>} = <span class="q">"PresentInSome"</span><span class="sc">;</span> + 847 <span class="s">}</span> + 848 <span class="s">}</span> + 849 <span class="c"># Check the presence this compound in the old labels; otherwise, add 'em...</span> + 850 <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@CmpdDataFieldLabels</span> <span class="s">)</span> <span class="s">{</span> + 851 <span class="k">if</span> <span class="s">(</span>!<span class="i">$DataFieldLabelsMap</span>{<span class="i">$Label</span>}<span class="s">)</span> <span class="s">{</span> + 852 <span class="c"># It's a new label...</span> + 853 <span class="k">push</span> <span class="i">@DataFieldLabels</span><span class="cm">,</span> <span class="i">$Label</span><span class="sc">;</span> + 854 <span class="i">$DataFieldLabelsMap</span>{<span class="i">$Label</span>} = <span class="q">"PresentInSome"</span><span class="sc">;</span> + 855 <span class="s">}</span> + 856 <span class="s">}</span> + 857 <span class="s">}</span> + 858 <span class="k">else</span> <span class="s">{</span> + 859 <span class="c"># Get the initial label set and set up a map...</span> + 860 <span class="i">@DataFieldLabels</span> = <span class="i">GetCmpdDataHeaderLabels</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> + 861 <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@DataFieldLabels</span><span class="s">)</span> <span class="s">{</span> + 862 <span class="i">$DataFieldLabelsMap</span>{<span class="i">$Label</span>} = <span class="q">"PresentInAll"</span><span class="sc">;</span> + 863 <span class="s">}</span> + 864 <span class="s">}</span> + 865 <span class="c"># Identify the common data field labels...</span> + 866 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^commondatafields$/i</span><span class="s">)</span> <span class="s">{</span> + 867 <span class="i">@CommonDataFieldLabels</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 868 <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@DataFieldLabels</span><span class="s">)</span> <span class="s">{</span> + 869 <span class="k">if</span> <span class="s">(</span><span class="i">$DataFieldLabelsMap</span>{<span class="i">$Label</span>} <span class="k">eq</span> <span class="q">"PresentInAll"</span><span class="s">)</span> <span class="s">{</span> + 870 <span class="k">push</span> <span class="i">@CommonDataFieldLabels</span><span class="cm">,</span> <span class="i">$Label</span><span class="sc">;</span> + 871 <span class="s">}</span> + 872 <span class="s">}</span> + 873 <span class="s">}</span> + 874 <span class="s">}</span> + 875 <span class="s">}</span> + 876 <span class="s">}</span> + 877 + 878 <span class="i">$SDFilesInfo</span>{<span class="w">FileOkay</span>}[<span class="i">$Index</span>] = <span class="n">1</span><span class="sc">;</span> + 879 + 880 <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileName</span>}[<span class="i">$Index</span>] = <span class="i">$NewTextFileName</span><span class="sc">;</span> + 881 <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileName</span>}[<span class="i">$Index</span>] = <span class="i">$NewSDFileName</span><span class="sc">;</span> + 882 + 883 <span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}[<span class="i">$Index</span>] = <span class="i">$CmpdCount</span><span class="sc">;</span> + 884 + 885 <span class="k">push</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$Index</span>]}<span class="cm">,</span> <span class="i">@DataFieldLabels</span><span class="sc">;</span> + 886 <span class="k">push</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">CommonDataFieldLabels</span>}[<span class="i">$Index</span>]}<span class="cm">,</span> <span class="i">@CommonDataFieldLabels</span><span class="sc">;</span> + 887 + 888 <span class="k">close</span> <span class="w">SDFILE</span><span class="sc">;</span> + 889 <span class="s">}</span> + 890 <span class="s">}</span> + 891 + 892 <span class="c"># Process options...</span> +<a name="ProcessOptions-"></a> 893 <span class="k">sub </span><span class="m">ProcessOptions</span> <span class="s">{</span> + 894 <span class="i">%OptionsInfo</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 895 + 896 <span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} = <span class="i">$Options</span>{<span class="w">mode</span>}<span class="sc">;</span> + 897 + 898 <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>} = <span class="q">"\,"</span><span class="sc">;</span> + 899 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">indelim</span>} =~ <span class="q">/^semicolon$/i</span><span class="s">)</span> <span class="s">{</span> + 900 <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>} = <span class="q">"\;"</span><span class="sc">;</span> + 901 <span class="s">}</span> + 902 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">indelim</span>} =~ <span class="q">/^tab$/i</span><span class="s">)</span> <span class="s">{</span> + 903 <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>} = <span class="q">"\t"</span><span class="sc">;</span> + 904 <span class="s">}</span> + 905 + 906 <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>} = <span class="q">"\,"</span><span class="sc">;</span> + 907 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} =~ <span class="q">/^semicolon$/i</span><span class="s">)</span> <span class="s">{</span> + 908 <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>} = <span class="q">"\;"</span><span class="sc">;</span> + 909 <span class="s">}</span> + 910 <span class="k">elsif</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="s">{</span> + 911 <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>} = <span class="q">"\t"</span><span class="sc">;</span> + 912 <span class="s">}</span> + 913 + 914 <span class="i">$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> + 915 + 916 <span class="i">$OptionsInfo</span>{<span class="w">RegexIgnoreCase</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">regexignorecase</span>} =~ <span class="q">/^yes$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> + 917 + 918 <span class="i">$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="k">undef</span><span class="sc">;</span> + 919 <span class="i">$OptionsInfo</span>{<span class="w">Overwrite</span>} = <span class="i">$Options</span>{<span class="w">overwrite</span>} ? <span class="i">$Options</span>{<span class="w">overwrite</span>} <span class="co">:</span> <span class="k">undef</span><span class="sc">;</span> + 920 + 921 <span class="i">$OptionsInfo</span>{<span class="w">NumOfCmpds</span>} = <span class="i">$Options</span>{<span class="w">numofcmpds</span>}<span class="sc">;</span> + 922 + 923 <span class="i">$OptionsInfo</span>{<span class="w">ValueComparisonMode</span>} = <span class="i">$Options</span>{<span class="w">valuecomparisonmode</span>}<span class="sc">;</span> + 924 <span class="i">$OptionsInfo</span>{<span class="w">NumericalComparison</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">valuecomparisonmode</span>} =~ <span class="q">/^Numeric$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> + 925 + 926 <span class="i">$OptionsInfo</span>{<span class="w">Violations</span>} = <span class="i">$Options</span>{<span class="w">violations</span>}<span class="sc">;</span> + 927 <span class="i">$OptionsInfo</span>{<span class="w">Seed</span>} = <span class="i">$Options</span>{<span class="w">seed</span>}<span class="sc">;</span> + 928 + 929 + 930 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(datafields|datafieldsbyregex|datafieldsbyvalue|datafieldbylist|datafielduniquebylist|datafieldnotbylist)$/i</span><span class="s">)</span> <span class="s">{</span> + 931 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>} || <span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> + 932 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>} && <span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> + 933 <span class="k">die</span> <span class="q">"Error: For \"-m --mode\" option values of datafields, datafieldsbyvalue, datafieldsbyregex, datafieldbylist, datafielduniquebylist, or datafieldnotbylist specify only one of the \"-d --datafields\" or \"--datafieldsfile\" option.\n"</span><span class="sc">;</span> + 934 <span class="s">}</span> + 935 <span class="s">}</span> + 936 <span class="k">else</span> <span class="s">{</span> + 937 <span class="k">die</span> <span class="q">"Error: For \"-m --mode\" option values of datafields, datafieldsbyvalue, datafieldsbyregex, datafieldbylist, datafielduniquebylist, or datafieldnotbylist specify one of the \"-d --datafields\" or \"--datafieldsfile\" option.\n"</span><span class="sc">;</span> + 938 <span class="s">}</span> + 939 <span class="s">}</span> + 940 <span class="i">$OptionsInfo</span>{<span class="w">DataFields</span>} = <span class="i">$Options</span>{<span class="w">datafields</span>} ? <span class="i">$Options</span>{<span class="w">datafields</span>} <span class="co">:</span> <span class="k">undef</span><span class="sc">;</span> + 941 <span class="i">$OptionsInfo</span>{<span class="w">DataFieldsFile</span>} = <span class="i">$Options</span>{<span class="w">datafieldsfile</span>} ? <span class="i">$Options</span>{<span class="w">datafieldsfile</span>} <span class="co">:</span> <span class="k">undef</span><span class="sc">;</span> + 942 + 943 <span class="i">$OptionsInfo</span>{<span class="w">RecordNum</span>} = <span class="n">0</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">StartRecordNum</span>} = <span class="n">0</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">EndRecordNum</span>} = <span class="n">0</span><span class="sc">;</span> + 944 + 945 <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">RecordNums</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> + 946 <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsMin</span>} = <span class="n">0</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsMax</span>} = <span class="n">0</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsCount</span>} = <span class="n">0</span><span class="sc">;</span> + 947 + 948 <span class="i">$OptionsInfo</span>{<span class="w">Record</span>} = <span class="i">$Options</span>{<span class="w">record</span>} ? <span class="i">$Options</span>{<span class="w">record</span>} <span class="co">:</span> <span class="k">undef</span><span class="sc">;</span> + 949 + 950 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(recordnum|recordnums|recordrange)$/i</span><span class="s">)</span> <span class="s">{</span> + 951 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">record</span>}<span class="s">)</span> <span class="s">{</span> + 952 <span class="k">my</span><span class="s">(</span><span class="i">$Record</span><span class="cm">,</span> <span class="i">@RecordSplit</span><span class="s">)</span><span class="sc">;</span> + 953 + 954 <span class="i">$Record</span> = <span class="i">$Options</span>{<span class="w">record</span>}<span class="sc">;</span> + 955 <span class="i">$Record</span> =~ <span class="q">s/ //g</span><span class="sc">;</span> + 956 + 957 <span class="i">@RecordSplit</span> = <span class="k">split</span> <span class="q">","</span><span class="cm">,</span> <span class="i">$Record</span><span class="sc">;</span> + 958 + 959 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^recordnum$/i</span> <span class="s">)</span> <span class="s">{</span> + 960 <span class="k">if</span> <span class="s">(</span><span class="i">@RecordSplit</span> == <span class="n">1</span><span class="s">)</span> <span class="s">{</span> + 961 <span class="i">$OptionsInfo</span>{<span class="w">RecordNum</span>} = <span class="i">$RecordSplit</span>[<span class="n">0</span>]<span class="sc">;</span> + 962 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">RecordNum</span>} <= <span class="n">0</span><span class="s">)</span> <span class="s">{</span> + 963 <span class="k">die</span> <span class="q">"Error: The value specified, $OptionsInfo{RecordNum}, for option \"--records\" is not valid. Allowed values: > 0 \n"</span><span class="sc">;</span> + 964 <span class="s">}</span> + 965 <span class="s">}</span> + 966 <span class="k">else</span> <span class="s">{</span> + 967 <span class="k">die</span> <span class="q">"Error: Invalid number of values, "</span><span class="cm">,</span> <span class="k">scalar</span><span class="s">(</span><span class="i">@RecordSplit</span><span class="s">)</span><span class="cm">,</span> <span class="q">", specified using \"--record\" option: only 1 value is allowed.\n"</span><span class="sc">;</span> + 968 <span class="s">}</span> + 969 <span class="s">}</span> + 970 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^recordnums$/i</span> <span class="s">)</span> <span class="s">{</span> + 971 <span class="k">my</span><span class="s">(</span><span class="i">$RecordNum</span><span class="cm">,</span> <span class="i">$RecordCount</span><span class="cm">,</span> <span class="i">@SortedRecordSplit</span><span class="s">)</span><span class="sc">;</span> + 972 + 973 <span class="i">@SortedRecordSplit</span> = <span class="k">sort</span> <span class="s">{</span> <span class="i">$a</span> <=> <span class="i">$b</span> <span class="s">}</span> <span class="i">@RecordSplit</span><span class="sc">;</span> + 974 + 975 <span class="i">$RecordCount</span> = <span class="n">0</span><span class="sc">;</span> + 976 <span class="j">RECORDNUM:</span> <span class="k">for</span> <span class="i">$RecordNum</span> <span class="s">(</span><span class="i">@SortedRecordSplit</span><span class="s">)</span> <span class="s">{</span> + 977 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$OptionsInfo</span>{<span class="w">RecordNums</span>}{<span class="i">$RecordNum</span>}<span class="s">)</span> <span class="s">{</span> + 978 <span class="k">next</span> <span class="j">RECORDNUM</span><span class="sc">;</span> + 979 <span class="s">}</span> + 980 <span class="i">$RecordCount</span>++<span class="sc">;</span> + 981 <span class="i">$OptionsInfo</span>{<span class="w">RecordNums</span>}{<span class="i">$RecordNum</span>} = <span class="i">$RecordNum</span><span class="sc">;</span> + 982 <span class="s">}</span> + 983 <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsCount</span>} = <span class="i">$RecordCount</span><span class="sc">;</span> + 984 <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsMin</span>} = <span class="i">$SortedRecordSplit</span>[<span class="n">0</span>]<span class="sc">;</span> + 985 <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsMax</span>} = <span class="i">$SortedRecordSplit</span>[<span class="i">$#SortedRecordSplit</span>]<span class="sc">;</span> + 986 <span class="s">}</span> + 987 <span class="k">else</span> <span class="s">{</span> + 988 <span class="k">if</span> <span class="s">(</span><span class="i">@RecordSplit</span> == <span class="n">2</span><span class="s">)</span> <span class="s">{</span> + 989 <span class="i">$OptionsInfo</span>{<span class="w">StartRecordNum</span>} = <span class="i">$RecordSplit</span>[<span class="n">0</span>]<span class="sc">;</span> + 990 <span class="i">$OptionsInfo</span>{<span class="w">EndRecordNum</span>} = <span class="i">$RecordSplit</span>[<span class="n">1</span>]<span class="sc">;</span> + 991 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StartRecordNum</span>} <= <span class="n">0</span> || <span class="i">$OptionsInfo</span>{<span class="w">EndRecordNum</span>} <= <span class="n">0</span><span class="s">)</span> <span class="s">{</span> + 992 <span class="k">die</span> <span class="q">"Error: The value pair specified, $Options{record}, for option \"--records\" is not valid. Allowed values: > 0 \n"</span><span class="sc">;</span> + 993 <span class="s">}</span> + 994 <span class="s">}</span> + 995 <span class="k">else</span> <span class="s">{</span> + 996 <span class="k">die</span> <span class="q">"Error: Invalid number of values, "</span><span class="cm">,</span> <span class="k">scalar</span><span class="s">(</span><span class="i">@RecordSplit</span><span class="s">)</span><span class="cm">,</span> <span class="q">", specified using \"--record\" option: only 2 values is allowed.\n"</span><span class="sc">;</span> + 997 <span class="s">}</span> + 998 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StartRecordNum</span>} > <span class="i">$OptionsInfo</span>{<span class="w">EndRecordNum</span>}<span class="s">)</span> <span class="s">{</span> + 999 <span class="k">die</span> <span class="q">"Error: Start record number, $OptionsInfo{StartRecordNum}, must be smaller than end record number, $OptionsInfo{EndRecordNum}.\nSpecify different values using \"--record\" option.\n"</span><span class="sc">;</span> +1000 <span class="s">}</span> +1001 <span class="s">}</span> +1002 <span class="s">}</span> +1003 <span class="k">else</span> <span class="s">{</span> +1004 <span class="k">die</span> <span class="q">"Error: For \"-m --mode\" option values recordnum, recordnums or recordrange, specify \"--record\" option value.\n"</span><span class="sc">;</span> +1005 <span class="s">}</span> +1006 <span class="s">}</span> +1007 +1008 <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> +1009 +1010 <span class="k">my</span><span class="s">(</span><span class="i">@Words</span><span class="cm">,</span> <span class="i">$Line</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> +1011 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafields$/i</span><span class="s">)</span> <span class="s">{</span> +1012 <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> +1013 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> +1014 <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}} = <span class="k">split</span> <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="i">$Options</span>{<span class="w">datafields</span>}<span class="sc">;</span> +1015 <span class="s">}</span> +1016 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> +1017 <span class="k">open</span> <span class="w">DATAFIELDSFILE</span><span class="cm">,</span> <span class="q">"$Options{datafieldsfile}"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $Options{datafieldsfile}: $! \n"</span><span class="sc">;</span> +1018 <span class="k">while</span> <span class="s">(</span><span class="i">$Line</span> = <span class="i">GetTextLine</span><span class="s">(</span>\<span class="i">*DATAFIELDSFILE</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> +1019 <span class="i">@Words</span> = <span class="i">quotewords</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="n">0</span><span class="cm">,</span> <span class="i">$Line</span><span class="s">)</span><span class="sc">;</span> +1020 <span class="k">if</span> <span class="s">(</span><span class="i">@Words</span><span class="s">)</span> <span class="s">{</span> +1021 <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}}<span class="cm">,</span> <span class="i">@Words</span><span class="sc">;</span> +1022 <span class="s">}</span> +1023 <span class="s">}</span> +1024 <span class="k">close</span> <span class="w">DATAFIELDSFILE</span><span class="sc">;</span> +1025 <span class="s">}</span> +1026 <span class="s">}</span> +1027 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafieldsbyvalue$/i</span><span class="s">)</span> <span class="s">{</span> +1028 <span class="k">my</span><span class="s">(</span><span class="i">@DataFieldsByValueTriplets</span><span class="s">)</span><span class="sc">;</span> +1029 <span class="i">@DataFieldsByValueTriplets</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> +1030 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> +1031 <span class="i">@DataFieldsByValueTriplets</span> = <span class="k">split</span> <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="i">$Options</span>{<span class="w">datafields</span>}<span class="sc">;</span> +1032 <span class="s">}</span> +1033 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> +1034 <span class="k">open</span> <span class="w">DATAFIELDSFILE</span><span class="cm">,</span> <span class="q">"$Options{datafieldsfile}"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $Options{datafieldsfile}: $! \n"</span><span class="sc">;</span> +1035 <span class="k">while</span> <span class="s">(</span><span class="i">$Line</span> = <span class="i">GetTextLine</span><span class="s">(</span>\<span class="i">*DATAFIELDSFILE</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> +1036 <span class="i">@Words</span> = <span class="i">quotewords</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="n">0</span><span class="cm">,</span> <span class="i">$Line</span><span class="s">)</span><span class="sc">;</span> +1037 <span class="k">if</span> <span class="s">(</span><span class="i">@Words</span><span class="s">)</span> <span class="s">{</span> +1038 <span class="k">push</span> <span class="i">@DataFieldsByValueTriplets</span><span class="cm">,</span> <span class="i">@Words</span><span class="sc">;</span> +1039 <span class="s">}</span> +1040 <span class="s">}</span> +1041 <span class="k">close</span> <span class="w">DATAFIELDSFILE</span><span class="sc">;</span> +1042 <span class="s">}</span> +1043 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">@DataFieldsByValueTriplets</span> % <span class="n">3</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> +1044 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> +1045 <span class="k">die</span> <span class="q">"Error: Triplets not found in values specified by \"-d --datafields\" option\n"</span><span class="sc">;</span> +1046 <span class="s">}</span> +1047 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> +1048 <span class="k">die</span> <span class="q">"Error: Triplets not found in values specified by \"--datafieldsfile\" option\n"</span><span class="sc">;</span> +1049 <span class="s">}</span> +1050 <span class="s">}</span> +1051 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$Label</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$Criterion</span><span class="s">)</span><span class="sc">;</span> +1052 +1053 <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> +1054 <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValuesMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> +1055 <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldCriteriaMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> +1056 +1057 <span class="k">for</span> <span class="s">(</span><span class="i">$Index</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$Index</span> < <span class="i">@DataFieldsByValueTriplets</span><span class="sc">;</span> <span class="i">$Index</span> = <span class="i">$Index</span> + <span class="n">3</span><span class="s">)</span> <span class="s">{</span> +1058 <span class="i">$Label</span> = <span class="i">$DataFieldsByValueTriplets</span>[<span class="i">$Index</span>]<span class="sc">;</span> +1059 <span class="i">$Value</span> = <span class="i">$DataFieldsByValueTriplets</span>[<span class="i">$Index</span> + <span class="n">1</span>]<span class="sc">;</span> +1060 <span class="i">$Criterion</span> = <span class="i">$DataFieldsByValueTriplets</span>[<span class="i">$Index</span> + <span class="n">2</span>]<span class="sc">;</span> +1061 +1062 <span class="k">if</span> <span class="s">(</span><span class="i">$Criterion</span> =~ <span class="q">/^(eq|le|ge)$/i</span><span class="s">)</span> <span class="s">{</span> +1063 <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}}<span class="cm">,</span> <span class="i">$Label</span><span class="sc">;</span> +1064 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValuesMap</span>}{<span class="i">$Label</span>} = <span class="i">$Value</span><span class="sc">;</span> +1065 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldCriteriaMap</span>}{<span class="i">$Label</span>} = <span class="i">$Criterion</span><span class="sc">;</span> +1066 <span class="s">}</span> +1067 <span class="k">else</span> <span class="s">{</span> +1068 <span class="k">warn</span> <span class="q">"Warning: Ignoring triplet value, $Label $Value $Criterion , specified using \"-d --datafields\" or \"--datafieldsfile\" option: Invalid criterion value: $Criterion\n"</span><span class="sc">;</span> +1069 <span class="s">}</span> +1070 <span class="s">}</span> +1071 <span class="s">}</span> +1072 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafieldsbyregex$/i</span><span class="s">)</span> <span class="s">{</span> +1073 <span class="k">my</span><span class="s">(</span><span class="i">@DataFieldsByRegexTriplets</span><span class="s">)</span><span class="sc">;</span> +1074 +1075 <span class="i">@DataFieldsByRegexTriplets</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> +1076 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> +1077 <span class="i">@DataFieldsByRegexTriplets</span> = <span class="i">quotewords</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="n">0</span><span class="cm">,</span> <span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span><span class="sc">;</span> +1078 <span class="s">}</span> +1079 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> +1080 <span class="k">open</span> <span class="w">DATAFIELDSFILE</span><span class="cm">,</span> <span class="q">"$Options{datafieldsfile}"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $Options{datafieldsfile}: $! \n"</span><span class="sc">;</span> +1081 <span class="k">while</span> <span class="s">(</span><span class="i">$Line</span> = <span class="i">GetTextLine</span><span class="s">(</span>\<span class="i">*DATAFIELDSFILE</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> +1082 <span class="i">@Words</span> = <span class="i">quotewords</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="n">0</span><span class="cm">,</span> <span class="i">$Line</span><span class="s">)</span><span class="sc">;</span> +1083 <span class="k">if</span> <span class="s">(</span><span class="i">@Words</span><span class="s">)</span> <span class="s">{</span> +1084 <span class="k">push</span> <span class="i">@DataFieldsByRegexTriplets</span><span class="cm">,</span> <span class="i">@Words</span><span class="sc">;</span> +1085 <span class="s">}</span> +1086 <span class="s">}</span> +1087 <span class="k">close</span> <span class="w">DATAFIELDSFILE</span><span class="sc">;</span> +1088 <span class="s">}</span> +1089 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">@DataFieldsByRegexTriplets</span> % <span class="n">3</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> +1090 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> +1091 <span class="k">die</span> <span class="q">"Error: Triplet not found in values specified by \"-d --datafields\" option\n"</span><span class="sc">;</span> +1092 <span class="s">}</span> +1093 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> +1094 <span class="k">die</span> <span class="q">"Error: Triplet not found in values specified by \"--datafieldsfile\" option\n"</span><span class="sc">;</span> +1095 <span class="s">}</span> +1096 <span class="s">}</span> +1097 +1098 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$Label</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$Criterion</span><span class="s">)</span><span class="sc">;</span> +1099 +1100 <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> +1101 <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldRegexMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> +1102 <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldRegexCriteriaMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> +1103 +1104 <span class="k">for</span> <span class="s">(</span><span class="i">$Index</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$Index</span> < <span class="i">@DataFieldsByRegexTriplets</span><span class="sc">;</span> <span class="i">$Index</span> = <span class="i">$Index</span> + <span class="n">3</span><span class="s">)</span> <span class="s">{</span> +1105 <span class="i">$Label</span> = <span class="i">$DataFieldsByRegexTriplets</span>[<span class="i">$Index</span>]<span class="sc">;</span> +1106 <span class="i">$Value</span> = <span class="i">$DataFieldsByRegexTriplets</span>[<span class="i">$Index</span> + <span class="n">1</span>]<span class="sc">;</span> +1107 <span class="i">$Criterion</span> = <span class="i">$DataFieldsByRegexTriplets</span>[<span class="i">$Index</span> + <span class="n">2</span>]<span class="sc">;</span> +1108 +1109 <span class="k">if</span> <span class="s">(</span><span class="i">$Criterion</span> =~ <span class="q">/^(eq|ne)$/i</span><span class="s">)</span> <span class="s">{</span> +1110 <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}}<span class="cm">,</span> <span class="i">$Label</span><span class="sc">;</span> +1111 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldRegexMap</span>}{<span class="i">$Label</span>} = <span class="i">$Value</span><span class="sc">;</span> +1112 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldRegexCriteriaMap</span>}{<span class="i">$Label</span>} = <span class="i">$Criterion</span><span class="sc">;</span> +1113 <span class="s">}</span> +1114 <span class="k">else</span> <span class="s">{</span> +1115 <span class="k">warn</span> <span class="q">"Warning: Ignoring triplet value, $Label $Value $Criterion , specified using \"-d --datafields\" or \"--datafieldsfile\" option: Invalid criterion value: $Criterion; Supported values: eq or ne\n"</span><span class="sc">;</span> +1116 <span class="s">}</span> +1117 <span class="s">}</span> +1118 <span class="s">}</span> +1119 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(datafieldbylist|datafielduniquebylist|datafieldnotbylist)$/i</span><span class="s">)</span> <span class="s">{</span> +1120 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">@DataFieldAndValuesList</span><span class="s">)</span><span class="sc">;</span> +1121 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> +1122 <span class="i">@DataFieldAndValuesList</span> = <span class="k">split</span> <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="i">$Options</span>{<span class="w">datafields</span>}<span class="sc">;</span> +1123 <span class="s">}</span> +1124 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> +1125 <span class="k">open</span> <span class="w">DATAFIELDSFILE</span><span class="cm">,</span> <span class="q">"$Options{datafieldsfile}"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $Options{datafieldsfile}: $! \n"</span><span class="sc">;</span> +1126 <span class="k">while</span> <span class="s">(</span><span class="i">$Line</span> = <span class="i">GetTextLine</span><span class="s">(</span>\<span class="i">*DATAFIELDSFILE</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> +1127 <span class="i">@Words</span> = <span class="i">quotewords</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="n">0</span><span class="cm">,</span> <span class="i">$Line</span><span class="s">)</span><span class="sc">;</span> +1128 <span class="k">if</span> <span class="s">(</span><span class="i">@Words</span><span class="s">)</span> <span class="s">{</span> +1129 <span class="k">push</span> <span class="i">@DataFieldAndValuesList</span><span class="cm">,</span> <span class="i">@Words</span><span class="sc">;</span> +1130 <span class="s">}</span> +1131 <span class="s">}</span> +1132 <span class="k">close</span> <span class="w">DATAFIELDSFILE</span><span class="sc">;</span> +1133 <span class="s">}</span> +1134 <span class="k">if</span> <span class="s">(</span><span class="i">@DataFieldAndValuesList</span> < <span class="n">2</span><span class="s">)</span> <span class="s">{</span> +1135 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> +1136 <span class="k">die</span> <span class="q">"Error: Invalid number of values specified by \"-d --datafields\" option\n"</span><span class="sc">;</span> +1137 <span class="s">}</span> +1138 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> +1139 <span class="k">die</span> <span class="q">"Error: Invalid number values specified by \"--datafieldsfile\" option\n"</span><span class="sc">;</span> +1140 <span class="s">}</span> +1141 <span class="s">}</span> +1142 +1143 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabel</span>} = <span class="i">$DataFieldAndValuesList</span>[<span class="n">0</span>]<span class="sc">;</span> +1144 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValuesCount</span>} = <span class="i">@DataFieldAndValuesList</span> - <span class="n">1</span><span class="sc">;</span> +1145 <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> +1146 +1147 <span class="k">for</span> <span class="s">(</span><span class="i">$Index</span> = <span class="n">1</span><span class="sc">;</span> <span class="i">$Index</span> < <span class="i">@DataFieldAndValuesList</span><span class="sc">;</span> <span class="i">$Index</span>++<span class="s">)</span> <span class="s">{</span> +1148 <span class="i">$Value</span> = <span class="i">$DataFieldAndValuesList</span>[<span class="i">$Index</span>]<span class="sc">;</span> +1149 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}{<span class="i">$Value</span>} = <span class="q">"NotFound"</span><span class="sc">;</span> +1150 <span class="s">}</span> +1151 <span class="s">}</span> +1152 +1153 <span class="i">$OptionsInfo</span>{<span class="w">SDFileExt</span>} = <span class="q">"sdf"</span><span class="sc">;</span> +1154 <span class="i">$OptionsInfo</span>{<span class="w">TextFileExt</span>} = <span class="q">"csv"</span><span class="sc">;</span> +1155 +1156 <span class="k">if</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="s">{</span> +1157 <span class="i">$OptionsInfo</span>{<span class="w">TextFileExt</span>} = <span class="q">"tsv"</span><span class="sc">;</span> +1158 <span class="s">}</span> +1159 +1160 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(alldatafields|molnames)$/i</span><span class="s">)</span> <span class="s">{</span> +1161 <span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>} = <span class="n">0</span><span class="sc">;</span> +1162 <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>} = <span class="n">1</span><span class="sc">;</span> +1163 <span class="s">}</span> +1164 <span class="k">else</span> <span class="s">{</span> +1165 <span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</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> +1166 <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">output</span>} =~ <span class="q">/^(text|both)$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> +1167 <span class="s">}</span> +1168 +1169 <span class="i">$OptionsInfo</span>{<span class="w">StrDataString</span>} = <span class="i">$Options</span>{<span class="w">strdatastring</span>}<span class="sc">;</span> +1170 <span class="i">$OptionsInfo</span>{<span class="w">OutputStrDataString</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">strdatastring</span>} =~ <span class="q">/^Yes$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> +1171 +1172 <span class="i">$OptionsInfo</span>{<span class="w">StrDataStringDelimiter</span>} = <span class="i">$Options</span>{<span class="w">strdatastringdelimiter</span>}<span class="sc">;</span> +1173 +1174 <span class="k">if</span> <span class="s">(</span><span class="i">IsEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">strdatastringdelimiter</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> +1175 <span class="k">die</span> <span class="q">"Error: No value specified for \"--StrDataStringDelimiter\" option.\n"</span><span class="sc">;</span> +1176 <span class="s">}</span> +1177 <span class="i">$OptionsInfo</span>{<span class="w">StrDataStringMode</span>} = <span class="i">$Options</span>{<span class="w">strdatastringmode</span>}<span class="sc">;</span> +1178 <span class="i">$OptionsInfo</span>{<span class="w">StrDataStringWithFields</span>} = <span class="i">$Options</span>{<span class="w">strdatastringmode</span>} =~ <span class="q">/^StrAndDataFields$/i</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> +1179 +1180 <span class="j">MODE:</span> <span class="s">{</span> +1181 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^alldatafields$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"AllDataDields"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1182 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^commondatafields$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"CommonDataDields"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1183 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafields$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"SpecifiedDataFields"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1184 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafieldsbyvalue$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"SpecifiedDataFieldsByValue"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1185 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafieldsbyregex$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"SpecifiedDataFieldsByRegex"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1186 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafieldbylist$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"SpecifiedDataField"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1187 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafielduniquebylist$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"SpecifiedUniqueDataField"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1188 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafieldnotbylist$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"SpecifiedDataFieldNotByList"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1189 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^molnames$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"MolName"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1190 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^randomcmpds$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"RandomCmpds"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1191 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^recordnum$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"RecordNum$OptionsInfo{RecordNum}"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1192 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^recordnums$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"RecordNums"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1193 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^recordrange$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"RecordNum$OptionsInfo{StartRecordNum}"</span> . <span class="q">"To"</span> . <span class="q">"$OptionsInfo{EndRecordNum}"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1194 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^2dcmpdrecords$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"2DCmpdRecords"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1195 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^3dcmpdrecords$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"3DCmpdRecords"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> +1196 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{mode}, for option \"-m --mode\" is not valid. Allowed values: alldatafields, commondatafields, datafields, datafieldsbyvalue, datafieldbylist, datafielduniquebylist, , datafieldnotbylist, molnames, randomcmpds, recordnum, recordnums, recordrange, 2dcmpdrecords, 3dcmpdrecords\n"</span><span class="sc">;</span> +1197 <span class="s">}</span> +1198 +1199 <span class="s">}</span> +1200 +1201 <span class="c"># Setup script usage and retrieve command line arguments specified using various options...</span> +<a name="SetupScriptUsage-"></a>1202 <span class="k">sub </span><span class="m">SetupScriptUsage</span> <span class="s">{</span> +1203 +1204 <span class="c"># Retrieve all the options...</span> +1205 <span class="i">%Options</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> +1206 <span class="i">$Options</span>{<span class="w">numofcmpds</span>} = <span class="n">1</span><span class="sc">;</span> +1207 <span class="i">$Options</span>{<span class="w">mode</span>} = <span class="q">"alldatafields"</span><span class="sc">;</span> +1208 <span class="i">$Options</span>{<span class="w">indelim</span>} = <span class="q">"comma"</span><span class="sc">;</span> +1209 <span class="i">$Options</span>{<span class="w">outdelim</span>} = <span class="q">"comma"</span><span class="sc">;</span> +1210 <span class="i">$Options</span>{<span class="w">output</span>} = <span class="q">"SD"</span><span class="sc">;</span> +1211 <span class="i">$Options</span>{<span class="w">quote</span>} = <span class="q">"yes"</span><span class="sc">;</span> +1212 <span class="i">$Options</span>{<span class="w">regexignorecase</span>} = <span class="q">"yes"</span><span class="sc">;</span> +1213 <span class="i">$Options</span>{<span class="w">valuecomparisonmode</span>} = <span class="q">"numeric"</span><span class="sc">;</span> +1214 <span class="i">$Options</span>{<span class="w">violations</span>} = <span class="n">0</span><span class="sc">;</span> +1215 <span class="i">$Options</span>{<span class="w">seed</span>} = <span class="n">123456789</span><span class="sc">;</span> +1216 +1217 <span class="i">$Options</span>{<span class="w">strdatastring</span>} = <span class="q">"no"</span><span class="sc">;</span> +1218 <span class="i">$Options</span>{<span class="w">strdatastringdelimiter</span>} = <span class="q">"|"</span><span class="sc">;</span> +1219 <span class="i">$Options</span>{<span class="w">strdatastringmode</span>} = <span class="q">"StrOnly"</span><span class="sc">;</span> +1220 +1221 <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">"help|h"</span><span class="cm">,</span> <span class="q">"datafields|d=s"</span><span class="cm">,</span> <span class="q">"datafieldsfile=s"</span><span class="cm">,</span> <span class="q">"indelim=s"</span><span class="cm">,</span> <span class="q">"mode|m=s"</span><span class="cm">,</span> <span class="q">"numofcmpds|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">"quote|q=s"</span><span class="cm">,</span> <span class="q">"regexignorecase=s"</span><span class="cm">,</span> <span class="q">"record=s"</span><span class="cm">,</span> <span class="q">"root|r=s"</span><span class="cm">,</span> <span class="q">"seed|s=i"</span><span class="cm">,</span> <span class="q">"strdatastring=s"</span><span class="cm">,</span> <span class="q">"strdatastringdelimiter=s"</span><span class="cm">,</span> <span class="q">"strdatastringmode=s"</span><span class="cm">,</span> <span class="q">"valuecomparisonmode=s"</span><span class="cm">,</span> <span class="q">"violations|v=i"</span><span class="cm">,</span> <span class="q">"workingdir|w=s"</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> +1222 <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 $ScriptName -h\" command and try again...\n"</span><span class="sc">;</span> +1223 <span class="s">}</span> +1224 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">workingdir</span>}<span class="s">)</span> <span class="s">{</span> +1225 <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> +1226 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{workingdir}, for option \"-w --workingdir\" is not a directory name.\n"</span><span class="sc">;</span> +1227 <span class="s">}</span> +1228 <span class="k">chdir</span> <span class="i">$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}: $! \n"</span><span class="sc">;</span> +1229 <span class="s">}</span> +1230 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">numofcmpds</span>} < <span class="n">1</span><span class="s">)</span> <span class="s">{</span> +1231 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{numofcmpds}, for option \"-n --numofcmpds\" is not valid. Allowed values: >= 1 \n"</span><span class="sc">;</span> +1232 <span class="s">}</span> +1233 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">valuecomparisonmode</span>} !~ <span class="q">/^(Numeric|Alphanumeric)$/i</span><span class="s">)</span> <span class="s">{</span> +1234 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{valuecomparisonmode}, for option \"--ValueComparisonMode\" is not valid. Allowed values: Numeric or Alphanumeric\n"</span><span class="sc">;</span> +1235 <span class="s">}</span> +1236 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">violations</span>} < <span class="n">0</span><span class="s">)</span> <span class="s">{</span> +1237 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{violations}, for option \"-v --violations\" is not valid. Allowed values: >= 0 \n"</span><span class="sc">;</span> +1238 <span class="s">}</span> +1239 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} !~ <span class="q">/^(alldatafields|commondatafields|datafields|datafieldsbyvalue|datafieldsbyregex|datafieldbylist|datafielduniquebylist|datafieldnotbylist|molnames|randomcmpds|recordnum|recordnums|recordrange|2dcmpdrecords|3dcmpdrecords)$/i</span><span class="s">)</span> <span class="s">{</span> +1240 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{mode}, for option \"-m --mode\" is not valid. Allowed values: alldatafields, commondatafields, datafields, datafieldsbyvalue, datafieldbylist, datafielduniquebylist, datafieldnotbylist, molnames, randomcmpds, recordnum, recordnums, recordrange, 2dcmpdrecords, 3dcmpdrecords\n"</span><span class="sc">;</span> +1241 <span class="s">}</span> +1242 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">output</span>} !~ <span class="q">/^(SD|text|both)$/i</span><span class="s">)</span> <span class="s">{</span> +1243 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{output}, for option \"--output\" is not valid. Allowed values: SD, text, or both\n"</span><span class="sc">;</span> +1244 <span class="s">}</span> +1245 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">indelim</span>} !~ <span class="q">/^(comma|semicolon|tab)$/i</span><span class="s">)</span> <span class="s">{</span> +1246 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{indelim}, for option \"--indelim\" is not valid. Allowed values: comma, tab, or semicolon\n"</span><span class="sc">;</span> +1247 <span class="s">}</span> +1248 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} !~ <span class="q">/^(comma|semicolon|tab)$/i</span><span class="s">)</span> <span class="s">{</span> +1249 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{outdelim}, for option \"--outdelim\" is not valid. Allowed values: comma, tab, or semicolon\n"</span><span class="sc">;</span> +1250 <span class="s">}</span> +1251 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">quote</span>} !~ <span class="q">/^(yes|no)$/i</span><span class="s">)</span> <span class="s">{</span> +1252 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{quote}, for option \"-q --quote\" is not valid. Allowed values: yes or no\n"</span><span class="sc">;</span> +1253 <span class="s">}</span> +1254 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">regexignorecase</span>} !~ <span class="q">/^(yes|no)$/i</span><span class="s">)</span> <span class="s">{</span> +1255 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{regexignorecase}, for option \"--regexignorecase\" is not valid. Allowed values: yes or no\n"</span><span class="sc">;</span> +1256 <span class="s">}</span> +1257 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strdatastring</span>} !~ <span class="q">/^(yes|no)$/i</span><span class="s">)</span> <span class="s">{</span> +1258 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{strdatastring}, for option \"--StrDataString\" is not valid. Allowed values: yes or no\n"</span><span class="sc">;</span> +1259 <span class="s">}</span> +1260 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strdatastringmode</span>} !~ <span class="q">/^(StrOnly|StrAndDataFields)$/i</span><span class="s">)</span> <span class="s">{</span> +1261 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{strdatastringmode}, for option \"--StrDataStringMode\" is not valid. Allowed values: StrOnly or StrAndDataFields\n"</span><span class="sc">;</span> +1262 <span class="s">}</span> +1263 <span class="s">}</span> +1264 +<a name="EOF-"></a></pre> +<p> </p> +<br /> +<center> +<img src="../../../images/h2o2.png"> +</center> +</body> +</html>