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comparison mayachemtools/docs/modules/html/code/FingerprintsVector.html @ 0:73ae111cf86f draft
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| author | deepakjadmin |
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| date | Wed, 20 Jan 2016 11:55:01 -0500 |
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| 1 <html> | |
| 2 <head> | |
| 3 <title>MayaChemTools:Code:Fingerprints::FingerprintsVector.pm</title> | |
| 4 <meta http-equiv="content-type" content="text/html;charset=utf-8"> | |
| 5 <link rel="stylesheet" type="text/css" href="../../../css/MayaChemToolsCode.css"> | |
| 6 </head> | |
| 7 <body leftmargin="20" rightmargin="20" topmargin="10" bottommargin="10"> | |
| 8 <br/> | |
| 9 <center> | |
| 10 <a href="http://www.mayachemtools.org" title="MayaChemTools Home"><img src="../../../images/MayaChemToolsLogo.gif" border="0" alt="MayaChemTools"></a> | |
| 11 </center> | |
| 12 <br/> | |
| 13 <pre> | |
| 14 <a name="package-Fingerprints::FingerprintsVector-"></a> 1 <span class="k">package </span><span class="i">Fingerprints::FingerprintsVector</span><span class="sc">;</span> | |
| 15 2 <span class="c">#</span> | |
| 16 3 <span class="c"># $RCSfile: FingerprintsVector.pm,v $</span> | |
| 17 4 <span class="c"># $Date: 2015/02/28 20:48:54 $</span> | |
| 18 5 <span class="c"># $Revision: 1.31 $</span> | |
| 19 6 <span class="c">#</span> | |
| 20 7 <span class="c"># Author: Manish Sud <msud@san.rr.com></span> | |
| 21 8 <span class="c">#</span> | |
| 22 9 <span class="c"># Copyright (C) 2015 Manish Sud. All rights reserved.</span> | |
| 23 10 <span class="c">#</span> | |
| 24 11 <span class="c"># This file is part of MayaChemTools.</span> | |
| 25 12 <span class="c">#</span> | |
| 26 13 <span class="c"># MayaChemTools is free software; you can redistribute it and/or modify it under</span> | |
| 27 14 <span class="c"># the terms of the GNU Lesser General Public License as published by the Free</span> | |
| 28 15 <span class="c"># Software Foundation; either version 3 of the License, or (at your option) any</span> | |
| 29 16 <span class="c"># later version.</span> | |
| 30 17 <span class="c">#</span> | |
| 31 18 <span class="c"># MayaChemTools is distributed in the hope that it will be useful, but without</span> | |
| 32 19 <span class="c"># any warranty; without even the implied warranty of merchantability of fitness</span> | |
| 33 20 <span class="c"># for a particular purpose. See the GNU Lesser General Public License for more</span> | |
| 34 21 <span class="c"># details.</span> | |
| 35 22 <span class="c">#</span> | |
| 36 23 <span class="c"># You should have received a copy of the GNU Lesser General Public License</span> | |
| 37 24 <span class="c"># along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or</span> | |
| 38 25 <span class="c"># write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,</span> | |
| 39 26 <span class="c"># Boston, MA, 02111-1307, USA.</span> | |
| 40 27 <span class="c">#</span> | |
| 41 28 | |
| 42 29 <span class="k">use</span> <span class="w">strict</span><span class="sc">;</span> | |
| 43 30 <span class="k">use</span> <span class="w">Carp</span><span class="sc">;</span> | |
| 44 31 <span class="k">use</span> <span class="w">Exporter</span><span class="sc">;</span> | |
| 45 32 <span class="k">use</span> <span class="w">Scalar::Util</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 46 33 <span class="k">use</span> <span class="w">MathUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 47 34 <span class="k">use</span> <span class="w">TextUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 48 35 <span class="k">use</span> <span class="w">StatisticsUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 49 36 <span class="k">use</span> <span class="w">BitVector</span><span class="sc">;</span> | |
| 50 37 <span class="k">use</span> <span class="w">Vector</span><span class="sc">;</span> | |
| 51 38 | |
| 52 39 <span class="k">use</span> <span class="w">vars</span> <span class="q">qw(@ISA @EXPORT @EXPORT_OK %EXPORT_TAGS)</span><span class="sc">;</span> | |
| 53 40 | |
| 54 41 <span class="i">@ISA</span> = <span class="q">qw(Exporter)</span><span class="sc">;</span> | |
| 55 42 | |
| 56 43 <span class="c"># Distance coefficients</span> | |
| 57 44 <span class="k">my</span><span class="s">(</span><span class="i">@DistanceCoefficients</span><span class="s">)</span> = <span class="q">qw(CityBlockDistanceCoefficient EuclideanDistanceCoefficient HammingDistanceCoefficient ManhattanDistanceCoefficient SoergelDistanceCoefficient)</span><span class="sc">;</span> | |
| 58 45 | |
| 59 46 <span class="c"># Similarity coefficients...</span> | |
| 60 47 <span class="k">my</span><span class="s">(</span><span class="i">@SimilarityCoefficients</span><span class="s">)</span> = <span class="q">qw(CosineSimilarityCoefficient CzekanowskiSimilarityCoefficient DiceSimilarityCoefficient OchiaiSimilarityCoefficient JaccardSimilarityCoefficient SorensonSimilarityCoefficient TanimotoSimilarityCoefficient)</span><span class="sc">;</span> | |
| 61 48 | |
| 62 49 <span class="c"># New from string...</span> | |
| 63 50 <span class="k">my</span><span class="s">(</span><span class="i">@NewFromString</span><span class="s">)</span> = <span class="q">qw(NewFromValuesString NewFromValuesAndIDsString NewFromIDsAndValuesString NewFromValuesAndIDsPairsString NewFromIDsAndValuesPairsString)</span><span class="sc">;</span> | |
| 64 51 | |
| 65 52 <span class="i">@EXPORT</span> = <span class="q">qw(IsFingerprintsVector)</span><span class="sc">;</span> | |
| 66 53 <span class="i">@EXPORT_OK</span> = <span class="q">qw(GetSupportedDistanceCoefficients GetSupportedSimilarityCoefficients GetSupportedDistanceAndSimilarityCoefficients @DistanceCoefficients @SimilarityCoefficients)</span><span class="sc">;</span> | |
| 67 54 | |
| 68 55 <span class="i">%EXPORT_TAGS</span> = <span class="s">(</span> | |
| 69 56 <span class="w">new</span> <span class="cm">=></span> <span class="s">[</span><span class="i">@NewFromString</span><span class="s">]</span><span class="cm">,</span> | |
| 70 57 <span class="w">distancecoefficients</span> <span class="cm">=></span> <span class="s">[</span><span class="i">@DistanceCoefficients</span><span class="s">]</span><span class="cm">,</span> | |
| 71 58 <span class="w">similaritycoefficients</span> <span class="cm">=></span> <span class="s">[</span><span class="i">@SimilarityCoefficients</span><span class="s">]</span><span class="cm">,</span> | |
| 72 59 <span class="w">all</span> <span class="cm">=></span> <span class="s">[</span><span class="i">@EXPORT</span><span class="cm">,</span> <span class="i">@EXPORT_OK</span><span class="s">]</span> | |
| 73 60 <span class="s">)</span><span class="sc">;</span> | |
| 74 61 | |
| 75 62 <span class="c"># Setup class variables...</span> | |
| 76 63 <span class="k">my</span><span class="s">(</span><span class="i">$ClassName</span><span class="s">)</span><span class="sc">;</span> | |
| 77 64 <span class="i">_InitializeClass</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 78 65 | |
| 79 66 <span class="c"># Overload Perl functions...</span> | |
| 80 67 <span class="k">use</span> <span class="w">overload</span> <span class="q">'""'</span> <span class="cm">=></span> <span class="q">'StringifyFingerprintsVector'</span><span class="sc">;</span> | |
| 81 68 | |
| 82 69 <span class="c"># Class constructor...</span> | |
| 83 <a name="new-"></a> 70 <span class="k">sub </span><span class="m">new</span> <span class="s">{</span> | |
| 84 71 <span class="k">my</span><span class="s">(</span><span class="i">$Class</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 85 72 | |
| 86 73 <span class="c"># Initialize object...</span> | |
| 87 74 <span class="k">my</span> <span class="i">$This</span> = <span class="s">{</span><span class="s">}</span><span class="sc">;</span> | |
| 88 75 <span class="k">bless</span> <span class="i">$This</span><span class="cm">,</span> <span class="k">ref</span><span class="s">(</span><span class="i">$Class</span><span class="s">)</span> || <span class="i">$Class</span><span class="sc">;</span> | |
| 89 76 | |
| 90 77 <span class="i">$This</span><span class="i">->_InitializeFingerprintsVector</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 91 78 | |
| 92 79 <span class="i">$This</span><span class="i">->_InitializeFingerprintsVectorProperties</span><span class="s">(</span><span class="i">%NamesAndValues</span><span class="s">)</span><span class="sc">;</span> | |
| 93 80 | |
| 94 81 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 95 82 <span class="s">}</span> | |
| 96 83 | |
| 97 84 <span class="c"># Initialize object data...</span> | |
| 98 85 <span class="c">#</span> | |
| 99 <a name="_InitializeFingerprintsVector-"></a> 86 <span class="k">sub </span><span class="m">_InitializeFingerprintsVector</span> <span class="s">{</span> | |
| 100 87 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 101 88 | |
| 102 89 <span class="c"># Type of fingerprint vector...</span> | |
| 103 90 <span class="i">$This</span>->{<span class="w">Type</span>} = <span class="q">''</span><span class="sc">;</span> | |
| 104 91 | |
| 105 92 <span class="c"># Fingerprint vector values...</span> | |
| 106 93 <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 107 94 | |
| 108 95 <span class="c"># Fingerprint vector value IDs...</span> | |
| 109 96 <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 110 97 | |
| 111 98 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 112 99 <span class="s">}</span> | |
| 113 100 | |
| 114 101 <span class="c"># Initialize class ...</span> | |
| 115 <a name="_InitializeClass-"></a> 102 <span class="k">sub </span><span class="m">_InitializeClass</span> <span class="s">{</span> | |
| 116 103 <span class="c">#Class name...</span> | |
| 117 104 <span class="i">$ClassName</span> = <span class="w">__PACKAGE__</span><span class="sc">;</span> | |
| 118 105 <span class="s">}</span> | |
| 119 106 | |
| 120 107 <span class="c"># Initialize object properties....</span> | |
| 121 <a name="_InitializeFingerprintsVectorProperties-"></a> 108 <span class="k">sub </span><span class="m">_InitializeFingerprintsVectorProperties</span> <span class="s">{</span> | |
| 122 109 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 123 110 | |
| 124 111 <span class="k">my</span><span class="s">(</span><span class="i">$Name</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$MethodName</span><span class="s">)</span><span class="sc">;</span> | |
| 125 112 <span class="k">while</span> <span class="s">(</span><span class="s">(</span><span class="i">$Name</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="k">each</span> <span class="i">%NamesAndValues</span><span class="s">)</span> <span class="s">{</span> | |
| 126 113 <span class="i">$MethodName</span> = <span class="q">"Set${Name}"</span><span class="sc">;</span> | |
| 127 114 <span class="i">$This</span><span class="i">->$MethodName</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> | |
| 128 115 <span class="s">}</span> | |
| 129 116 | |
| 130 117 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$NamesAndValues</span>{<span class="w">Type</span>}<span class="s">)</span> <span class="s">{</span> | |
| 131 118 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated without specifying type..."</span><span class="sc">;</span> | |
| 132 119 <span class="s">}</span> | |
| 133 120 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 134 121 <span class="s">}</span> | |
| 135 122 | |
| 136 123 <span class="c"># Create a new fingerprints vector using space delimited values string. This functionality can be</span> | |
| 137 124 <span class="c"># either invoked as a class function or an object method.</span> | |
| 138 125 <span class="c">#</span> | |
| 139 <a name="NewFromValuesString-"></a> 126 <span class="k">sub </span><span class="m">NewFromValuesString ($$;$)</span> <span class="s">{</span> | |
| 140 127 <span class="k">my</span><span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="cm">,</span> <span class="i">$ThirdParamater</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 141 128 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$ValuesString</span><span class="s">)</span><span class="sc">;</span> | |
| 142 129 | |
| 143 130 <span class="k">if</span> <span class="s">(</span><span class="i">@_</span> == <span class="n">3</span><span class="s">)</span> <span class="s">{</span> | |
| 144 131 <span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$ValuesString</span><span class="s">)</span> = <span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="cm">,</span> <span class="i">$ThirdParamater</span><span class="s">)</span><span class="sc">;</span> | |
| 145 132 <span class="s">}</span> | |
| 146 133 <span class="k">else</span> <span class="s">{</span> | |
| 147 134 <span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$ValuesString</span><span class="s">)</span> = <span class="s">(</span><span class="k">undef</span><span class="cm">,</span> <span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="s">)</span><span class="sc">;</span> | |
| 148 135 <span class="s">}</span> | |
| 149 136 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVector</span><span class="cm">,</span> <span class="i">@Values</span><span class="s">)</span><span class="sc">;</span> | |
| 150 137 | |
| 151 138 <span class="i">@Values</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 152 139 <span class="k">if</span> <span class="s">(</span><span class="k">defined</span><span class="s">(</span><span class="i">$ValuesString</span><span class="s">)</span> && <span class="k">length</span><span class="s">(</span><span class="i">$ValuesString</span><span class="s">)</span> && <span class="i">$ValuesString</span> !~ <span class="q">/^None$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 153 140 <span class="i">@Values</span> = <span class="k">split</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">$ValuesString</span><span class="s">)</span><span class="sc">;</span> | |
| 154 141 <span class="s">}</span> | |
| 155 142 | |
| 156 143 <span class="i">$FingerprintsVector</span> = <span class="i">new</span> <span class="i">Fingerprints::FingerprintsVector</span><span class="s">(</span><span class="q">'Type'</span> <span class="cm">=></span> <span class="i">$Type</span><span class="cm">,</span> <span class="q">'Values'</span> <span class="cm">=></span> \<span class="i">@Values</span><span class="s">)</span><span class="sc">;</span> | |
| 157 144 | |
| 158 145 <span class="k">return</span> <span class="i">$FingerprintsVector</span><span class="sc">;</span> | |
| 159 146 <span class="s">}</span> | |
| 160 147 | |
| 161 148 <span class="c"># Create a new fingerprints vector using values and IDs string containing semicolon</span> | |
| 162 149 <span class="c"># delimited value string and value IDs strings. The values within value and value IDs</span> | |
| 163 150 <span class="c"># string are delimited by spaces.</span> | |
| 164 151 <span class="c">#</span> | |
| 165 152 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 166 153 <span class="c">#</span> | |
| 167 <a name="NewFromValuesAndIDsString-"></a> 154 <span class="k">sub </span><span class="m">NewFromValuesAndIDsString ($$;$)</span> <span class="s">{</span> | |
| 168 155 <span class="k">my</span><span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="cm">,</span> <span class="i">$ThirdParamater</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 169 156 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$ValuesAndIDsString</span><span class="s">)</span><span class="sc">;</span> | |
| 170 157 | |
| 171 158 <span class="k">if</span> <span class="s">(</span><span class="i">@_</span> == <span class="n">3</span><span class="s">)</span> <span class="s">{</span> | |
| 172 159 <span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$ValuesAndIDsString</span><span class="s">)</span> = <span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="cm">,</span> <span class="i">$ThirdParamater</span><span class="s">)</span><span class="sc">;</span> | |
| 173 160 <span class="s">}</span> | |
| 174 161 <span class="k">else</span> <span class="s">{</span> | |
| 175 162 <span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$ValuesAndIDsString</span><span class="s">)</span> = <span class="s">(</span><span class="k">undef</span><span class="cm">,</span> <span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="s">)</span><span class="sc">;</span> | |
| 176 163 <span class="s">}</span> | |
| 177 164 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVector</span><span class="cm">,</span> <span class="i">$ValuesString</span><span class="cm">,</span> <span class="i">$ValueIDsString</span><span class="cm">,</span> <span class="i">@Values</span><span class="cm">,</span> <span class="i">@ValueIDs</span><span class="s">)</span><span class="sc">;</span> | |
| 178 165 | |
| 179 166 <span class="s">(</span><span class="i">$ValuesString</span><span class="cm">,</span> <span class="i">$ValueIDsString</span><span class="s">)</span> = <span class="k">split</span><span class="s">(</span><span class="q">';'</span><span class="cm">,</span> <span class="i">$ValuesAndIDsString</span><span class="s">)</span><span class="sc">;</span> | |
| 180 167 | |
| 181 168 <span class="i">@Values</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 182 169 <span class="k">if</span> <span class="s">(</span><span class="k">defined</span><span class="s">(</span><span class="i">$ValuesString</span><span class="s">)</span> && <span class="k">length</span><span class="s">(</span><span class="i">$ValuesString</span><span class="s">)</span> && <span class="i">$ValuesString</span> !~ <span class="q">/^None$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 183 170 <span class="i">@Values</span> = <span class="k">split</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">$ValuesString</span><span class="s">)</span><span class="sc">;</span> | |
| 184 171 <span class="s">}</span> | |
| 185 172 <span class="i">@ValueIDs</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 186 173 <span class="k">if</span> <span class="s">(</span><span class="k">defined</span><span class="s">(</span><span class="i">$ValueIDsString</span><span class="s">)</span> && <span class="k">length</span><span class="s">(</span><span class="i">$ValueIDsString</span><span class="s">)</span> && <span class="i">$ValueIDsString</span> !~ <span class="q">/^None$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 187 174 <span class="i">@ValueIDs</span> = <span class="k">split</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">$ValueIDsString</span><span class="s">)</span><span class="sc">;</span> | |
| 188 175 <span class="s">}</span> | |
| 189 176 | |
| 190 177 <span class="k">if</span> <span class="s">(</span><span class="i">@Values</span> != <span class="i">@ValueIDs</span> <span class="s">)</span> <span class="s">{</span> | |
| 191 178 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->NewFromValuesAndIDsString: Object can't be instantiated: Number specified values, "</span> . <span class="k">scalar</span> <span class="i">@Values</span> . <span class="q">", must be equal to number of specified value IDs, "</span> . <span class="k">scalar</span> <span class="i">@ValueIDs</span> . <span class="q">"..."</span><span class="sc">;</span> | |
| 192 179 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> | |
| 193 180 <span class="s">}</span> | |
| 194 181 | |
| 195 182 <span class="i">$FingerprintsVector</span> = <span class="i">new</span> <span class="i">Fingerprints::FingerprintsVector</span><span class="s">(</span><span class="q">'Type'</span> <span class="cm">=></span> <span class="i">$Type</span><span class="cm">,</span> <span class="q">'Values'</span> <span class="cm">=></span> \<span class="i">@Values</span><span class="cm">,</span> <span class="q">'ValueIDs'</span> <span class="cm">=></span> \<span class="i">@ValueIDs</span><span class="s">)</span><span class="sc">;</span> | |
| 196 183 | |
| 197 184 <span class="k">return</span> <span class="i">$FingerprintsVector</span><span class="sc">;</span> | |
| 198 185 <span class="s">}</span> | |
| 199 186 | |
| 200 187 <span class="c"># Create a new fingerprints vector using IDs and values string containing semicolon</span> | |
| 201 188 <span class="c"># delimited value IDs string and values strings. The values within value and value IDs</span> | |
| 202 189 <span class="c"># string are delimited by spaces.</span> | |
| 203 190 <span class="c">#</span> | |
| 204 191 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 205 192 <span class="c">#</span> | |
| 206 <a name="NewFromIDsAndValuesString-"></a> 193 <span class="k">sub </span><span class="m">NewFromIDsAndValuesString ($$;$)</span> <span class="s">{</span> | |
| 207 194 <span class="k">my</span><span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="cm">,</span> <span class="i">$ThirdParamater</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 208 195 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$IDsAndValuesString</span><span class="s">)</span><span class="sc">;</span> | |
| 209 196 | |
| 210 197 <span class="k">if</span> <span class="s">(</span><span class="i">@_</span> == <span class="n">3</span><span class="s">)</span> <span class="s">{</span> | |
| 211 198 <span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$IDsAndValuesString</span><span class="s">)</span> = <span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="cm">,</span> <span class="i">$ThirdParamater</span><span class="s">)</span><span class="sc">;</span> | |
| 212 199 <span class="s">}</span> | |
| 213 200 <span class="k">else</span> <span class="s">{</span> | |
| 214 201 <span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$IDsAndValuesString</span><span class="s">)</span> = <span class="s">(</span><span class="k">undef</span><span class="cm">,</span> <span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="s">)</span><span class="sc">;</span> | |
| 215 202 <span class="s">}</span> | |
| 216 203 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVector</span><span class="cm">,</span> <span class="i">$ValuesString</span><span class="cm">,</span> <span class="i">$ValueIDsString</span><span class="cm">,</span> <span class="i">@Values</span><span class="cm">,</span> <span class="i">@ValueIDs</span><span class="s">)</span><span class="sc">;</span> | |
| 217 204 | |
| 218 205 <span class="s">(</span><span class="i">$ValueIDsString</span><span class="cm">,</span> <span class="i">$ValuesString</span><span class="s">)</span> = <span class="k">split</span><span class="s">(</span><span class="q">';'</span><span class="cm">,</span> <span class="i">$IDsAndValuesString</span><span class="s">)</span><span class="sc">;</span> | |
| 219 206 | |
| 220 207 <span class="i">@Values</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 221 208 <span class="k">if</span> <span class="s">(</span><span class="k">defined</span><span class="s">(</span><span class="i">$ValuesString</span><span class="s">)</span> && <span class="k">length</span><span class="s">(</span><span class="i">$ValuesString</span><span class="s">)</span> && <span class="i">$ValuesString</span> !~ <span class="q">/^None$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 222 209 <span class="i">@Values</span> = <span class="k">split</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">$ValuesString</span><span class="s">)</span><span class="sc">;</span> | |
| 223 210 <span class="s">}</span> | |
| 224 211 <span class="i">@ValueIDs</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 225 212 <span class="k">if</span> <span class="s">(</span><span class="k">defined</span><span class="s">(</span><span class="i">$ValueIDsString</span><span class="s">)</span> && <span class="k">length</span><span class="s">(</span><span class="i">$ValueIDsString</span><span class="s">)</span> && <span class="i">$ValueIDsString</span> !~ <span class="q">/^None$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 226 213 <span class="i">@ValueIDs</span> = <span class="k">split</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">$ValueIDsString</span><span class="s">)</span><span class="sc">;</span> | |
| 227 214 <span class="s">}</span> | |
| 228 215 | |
| 229 216 <span class="k">if</span> <span class="s">(</span><span class="i">@Values</span> != <span class="i">@ValueIDs</span> <span class="s">)</span> <span class="s">{</span> | |
| 230 217 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->NewFromIDsAndValuesString: Object can't be instantiated: Number specified values, "</span> . <span class="k">scalar</span> <span class="i">@Values</span> . <span class="q">", must be equal to number of specified value IDs, "</span> . <span class="k">scalar</span> <span class="i">@ValueIDs</span> . <span class="q">"..."</span><span class="sc">;</span> | |
| 231 218 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> | |
| 232 219 <span class="s">}</span> | |
| 233 220 | |
| 234 221 <span class="i">$FingerprintsVector</span> = <span class="i">new</span> <span class="i">Fingerprints::FingerprintsVector</span><span class="s">(</span><span class="q">'Type'</span> <span class="cm">=></span> <span class="i">$Type</span><span class="cm">,</span> <span class="q">'Values'</span> <span class="cm">=></span> \<span class="i">@Values</span><span class="cm">,</span> <span class="q">'ValueIDs'</span> <span class="cm">=></span> \<span class="i">@ValueIDs</span><span class="s">)</span><span class="sc">;</span> | |
| 235 222 | |
| 236 223 <span class="k">return</span> <span class="i">$FingerprintsVector</span><span class="sc">;</span> | |
| 237 224 <span class="s">}</span> | |
| 238 225 | |
| 239 226 <span class="c"># Create a new fingerprints vector using values and IDs pairs string containing space</span> | |
| 240 227 <span class="c"># value and value IDs pairs.</span> | |
| 241 228 <span class="c">#</span> | |
| 242 229 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 243 230 <span class="c">#</span> | |
| 244 <a name="NewFromValuesAndIDsPairsString-"></a> 231 <span class="k">sub </span><span class="m">NewFromValuesAndIDsPairsString ($$;$)</span> <span class="s">{</span> | |
| 245 232 <span class="k">my</span><span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="cm">,</span> <span class="i">$ThirdParamater</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 246 233 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$ValuesAndIDsPairsString</span><span class="s">)</span><span class="sc">;</span> | |
| 247 234 | |
| 248 235 <span class="k">if</span> <span class="s">(</span><span class="i">@_</span> == <span class="n">3</span><span class="s">)</span> <span class="s">{</span> | |
| 249 236 <span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$ValuesAndIDsPairsString</span><span class="s">)</span> = <span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="cm">,</span> <span class="i">$ThirdParamater</span><span class="s">)</span><span class="sc">;</span> | |
| 250 237 <span class="s">}</span> | |
| 251 238 <span class="k">else</span> <span class="s">{</span> | |
| 252 239 <span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$ValuesAndIDsPairsString</span><span class="s">)</span> = <span class="s">(</span><span class="k">undef</span><span class="cm">,</span> <span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="s">)</span><span class="sc">;</span> | |
| 253 240 <span class="s">}</span> | |
| 254 241 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVector</span><span class="cm">,</span> <span class="i">$Index</span><span class="cm">,</span> <span class="i">@Values</span><span class="cm">,</span> <span class="i">@ValueIDs</span><span class="cm">,</span> <span class="i">@ValuesAndIDsPairs</span><span class="s">)</span><span class="sc">;</span> | |
| 255 242 | |
| 256 243 <span class="i">@ValuesAndIDsPairs</span> = <span class="k">split</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">$ValuesAndIDsPairsString</span><span class="s">)</span><span class="sc">;</span> | |
| 257 244 <span class="k">if</span> <span class="s">(</span><span class="i">@ValuesAndIDsPairs</span> % <span class="n">2</span><span class="s">)</span> <span class="s">{</span> | |
| 258 245 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->NewFromValuesAndIDsPairsString: No fingerprint vector created: Invalid values and IDs pairs data: Input list must contain even number of values and IDs pairs..."</span><span class="sc">;</span> | |
| 259 246 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> | |
| 260 247 <span class="s">}</span> | |
| 261 248 | |
| 262 249 <span class="i">@Values</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="i">@ValueIDs</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 263 250 <span class="k">if</span> <span class="s">(</span>!<span class="s">(</span><span class="i">@ValuesAndIDsPairs</span> == <span class="n">2</span> && <span class="i">$ValuesAndIDsPairs</span>[<span class="n">0</span>] =~ <span class="q">/^None$/i</span> && <span class="i">$ValuesAndIDsPairs</span>[<span class="n">1</span>] =~ <span class="q">/^None$/i</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
| 264 251 <span class="k">for</span> <span class="s">(</span><span class="i">$Index</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$Index</span> < <span class="i">$#ValuesAndIDsPairs</span><span class="sc">;</span> <span class="i">$Index</span> += <span class="n">2</span><span class="s">)</span> <span class="s">{</span> | |
| 265 252 <span class="k">push</span> <span class="i">@Values</span><span class="cm">,</span> <span class="i">$ValuesAndIDsPairs</span>[<span class="i">$Index</span>]<span class="sc">;</span> | |
| 266 253 <span class="k">push</span> <span class="i">@ValueIDs</span><span class="cm">,</span> <span class="i">$ValuesAndIDsPairs</span>[<span class="i">$Index</span> + <span class="n">1</span>]<span class="sc">;</span> | |
| 267 254 <span class="s">}</span> | |
| 268 255 <span class="s">}</span> | |
| 269 256 <span class="i">$FingerprintsVector</span> = <span class="i">new</span> <span class="i">Fingerprints::FingerprintsVector</span><span class="s">(</span><span class="q">'Type'</span> <span class="cm">=></span> <span class="i">$Type</span><span class="cm">,</span> <span class="q">'Values'</span> <span class="cm">=></span> \<span class="i">@Values</span><span class="cm">,</span> <span class="q">'ValueIDs'</span> <span class="cm">=></span> \<span class="i">@ValueIDs</span><span class="s">)</span><span class="sc">;</span> | |
| 270 257 | |
| 271 258 <span class="k">return</span> <span class="i">$FingerprintsVector</span><span class="sc">;</span> | |
| 272 259 <span class="s">}</span> | |
| 273 260 | |
| 274 261 <span class="c"># Create a new fingerprints vector using IDs and values pairs string containing space</span> | |
| 275 262 <span class="c"># value IDs and valus pairs.</span> | |
| 276 263 <span class="c">#</span> | |
| 277 264 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 278 265 <span class="c">#</span> | |
| 279 <a name="NewFromIDsAndValuesPairsString-"></a> 266 <span class="k">sub </span><span class="m">NewFromIDsAndValuesPairsString ($$;$)</span> <span class="s">{</span> | |
| 280 267 <span class="k">my</span><span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="cm">,</span> <span class="i">$ThirdParamater</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 281 268 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$IDsAndValuesPairsString</span><span class="s">)</span><span class="sc">;</span> | |
| 282 269 | |
| 283 270 <span class="k">if</span> <span class="s">(</span><span class="i">@_</span> == <span class="n">3</span><span class="s">)</span> <span class="s">{</span> | |
| 284 271 <span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$IDsAndValuesPairsString</span><span class="s">)</span> = <span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="cm">,</span> <span class="i">$ThirdParamater</span><span class="s">)</span><span class="sc">;</span> | |
| 285 272 <span class="s">}</span> | |
| 286 273 <span class="k">else</span> <span class="s">{</span> | |
| 287 274 <span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="cm">,</span> <span class="i">$IDsAndValuesPairsString</span><span class="s">)</span> = <span class="s">(</span><span class="k">undef</span><span class="cm">,</span> <span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="s">)</span><span class="sc">;</span> | |
| 288 275 <span class="s">}</span> | |
| 289 276 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVector</span><span class="cm">,</span> <span class="i">$Index</span><span class="cm">,</span> <span class="i">@Values</span><span class="cm">,</span> <span class="i">@ValueIDs</span><span class="cm">,</span> <span class="i">@IDsAndValuesPairs</span><span class="s">)</span><span class="sc">;</span> | |
| 290 277 | |
| 291 278 <span class="i">@IDsAndValuesPairs</span> = <span class="k">split</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">$IDsAndValuesPairsString</span><span class="s">)</span><span class="sc">;</span> | |
| 292 279 <span class="k">if</span> <span class="s">(</span><span class="i">@IDsAndValuesPairs</span> % <span class="n">2</span><span class="s">)</span> <span class="s">{</span> | |
| 293 280 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->NewFromIDsAndValuesPairsString: No fingerprint vector created: Invalid values and IDs pairs data: Input list must contain even number of values and IDs pairs..."</span><span class="sc">;</span> | |
| 294 281 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> | |
| 295 282 <span class="s">}</span> | |
| 296 283 | |
| 297 284 <span class="i">@Values</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="i">@ValueIDs</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 298 285 <span class="k">if</span> <span class="s">(</span>!<span class="s">(</span><span class="i">@IDsAndValuesPairs</span> == <span class="n">2</span> && <span class="i">$IDsAndValuesPairs</span>[<span class="n">0</span>] =~ <span class="q">/^None$/i</span> && <span class="i">$IDsAndValuesPairs</span>[<span class="n">1</span>] =~ <span class="q">/^None$/i</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
| 299 286 <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">$#IDsAndValuesPairs</span><span class="sc">;</span> <span class="i">$Index</span> += <span class="n">2</span><span class="s">)</span> <span class="s">{</span> | |
| 300 287 <span class="k">push</span> <span class="i">@ValueIDs</span><span class="cm">,</span> <span class="i">$IDsAndValuesPairs</span>[<span class="i">$Index</span>]<span class="sc">;</span> | |
| 301 288 <span class="k">push</span> <span class="i">@Values</span><span class="cm">,</span> <span class="i">$IDsAndValuesPairs</span>[<span class="i">$Index</span> + <span class="n">1</span>]<span class="sc">;</span> | |
| 302 289 <span class="s">}</span> | |
| 303 290 <span class="s">}</span> | |
| 304 291 <span class="i">$FingerprintsVector</span> = <span class="i">new</span> <span class="i">Fingerprints::FingerprintsVector</span><span class="s">(</span><span class="q">'Type'</span> <span class="cm">=></span> <span class="i">$Type</span><span class="cm">,</span> <span class="q">'Values'</span> <span class="cm">=></span> \<span class="i">@Values</span><span class="cm">,</span> <span class="q">'ValueIDs'</span> <span class="cm">=></span> \<span class="i">@ValueIDs</span><span class="s">)</span><span class="sc">;</span> | |
| 305 292 | |
| 306 293 <span class="k">return</span> <span class="i">$FingerprintsVector</span><span class="sc">;</span> | |
| 307 294 <span class="s">}</span> | |
| 308 295 | |
| 309 296 <span class="c"># Set type of fingerprint vector. Supported types are: OrderedNumericalValues, NumericalValues, and</span> | |
| 310 297 <span class="c"># AlphaNumericalValues</span> | |
| 311 298 <span class="c">#</span> | |
| 312 299 <span class="c"># . For OrderedNumericalValues type, both vectors must be of the same size and contain similar</span> | |
| 313 300 <span class="c"># types of numerical values in the same order.</span> | |
| 314 301 <span class="c">#</span> | |
| 315 302 <span class="c"># . For NumericalValues type, vector value IDs for both vectors must be specified; however, their</span> | |
| 316 303 <span class="c"># size and order of IDs and numerical values may be different. For each vector, value IDs must</span> | |
| 317 304 <span class="c"># correspond to vector values.</span> | |
| 318 305 <span class="c">#</span> | |
| 319 306 <span class="c"># . For AlphaNumericalValues type, vectors may contain both numerical and alphanumerical values</span> | |
| 320 307 <span class="c"># and their sizes may be different.</span> | |
| 321 308 <span class="c">#</span> | |
| 322 <a name="SetType-"></a> 309 <span class="k">sub </span><span class="m">SetType</span> <span class="s">{</span> | |
| 323 310 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Type</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 324 311 | |
| 325 312 <span class="k">if</span> <span class="s">(</span><span class="i">$Type</span> !~ <span class="q">/^(OrderedNumericalValues|NumericalValues|AlphaNumericalValues)$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 326 313 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetType: Specified value, $Type, for Type is not vaild. Supported types in current release of MayaChemTools: OrderedNumericalValues, NumericalValues or AlphaNumericalValues"</span><span class="sc">;</span> | |
| 327 314 <span class="s">}</span> | |
| 328 315 | |
| 329 316 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">Type</span>}<span class="s">)</span> <span class="s">{</span> | |
| 330 317 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetType: Can't change intial fingerprints vector type: It's already set..."</span><span class="sc">;</span> | |
| 331 318 <span class="s">}</span> | |
| 332 319 <span class="i">$This</span>->{<span class="w">Type</span>} = <span class="i">$Type</span><span class="sc">;</span> | |
| 333 320 | |
| 334 321 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 335 322 <span class="s">}</span> | |
| 336 323 | |
| 337 324 <span class="c"># Get fingerpints vector type...</span> | |
| 338 325 <span class="c">#</span> | |
| 339 <a name="GetType-"></a> 326 <span class="k">sub </span><span class="m">GetType</span> <span class="s">{</span> | |
| 340 327 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 341 328 | |
| 342 329 <span class="k">return</span> <span class="i">$This</span>->{<span class="w">Type</span>}<span class="sc">;</span> | |
| 343 330 <span class="s">}</span> | |
| 344 331 | |
| 345 332 <span class="c"># Set ID...</span> | |
| 346 <a name="SetID-"></a> 333 <span class="k">sub </span><span class="m">SetID</span> <span class="s">{</span> | |
| 347 334 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 348 335 | |
| 349 336 <span class="i">$This</span>->{<span class="w">ID</span>} = <span class="i">$Value</span><span class="sc">;</span> | |
| 350 337 | |
| 351 338 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 352 339 <span class="s">}</span> | |
| 353 340 | |
| 354 341 <span class="c"># Get ID...</span> | |
| 355 <a name="GetID-"></a> 342 <span class="k">sub </span><span class="m">GetID</span> <span class="s">{</span> | |
| 356 343 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 357 344 | |
| 358 345 <span class="k">return</span> <span class="k">exists</span> <span class="i">$This</span>->{<span class="w">ID</span>} ? <span class="i">$This</span>->{<span class="w">ID</span>} <span class="co">:</span> <span class="q">'None'</span><span class="sc">;</span> | |
| 359 346 <span class="s">}</span> | |
| 360 347 | |
| 361 348 <span class="c"># Set description...</span> | |
| 362 <a name="SetDescription-"></a> 349 <span class="k">sub </span><span class="m">SetDescription</span> <span class="s">{</span> | |
| 363 350 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 364 351 | |
| 365 352 <span class="i">$This</span>->{<span class="w">Description</span>} = <span class="i">$Value</span><span class="sc">;</span> | |
| 366 353 | |
| 367 354 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 368 355 <span class="s">}</span> | |
| 369 356 | |
| 370 357 <span class="c"># Get description...</span> | |
| 371 <a name="GetDescription-"></a> 358 <span class="k">sub </span><span class="m">GetDescription</span> <span class="s">{</span> | |
| 372 359 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 373 360 | |
| 374 361 <span class="k">return</span> <span class="k">exists</span> <span class="i">$This</span>->{<span class="w">Description</span>} ? <span class="i">$This</span>->{<span class="w">Description</span>} <span class="co">:</span> <span class="q">'No description available'</span><span class="sc">;</span> | |
| 375 362 <span class="s">}</span> | |
| 376 363 | |
| 377 364 <span class="c"># Set vector type...</span> | |
| 378 <a name="SetVectorType-"></a> 365 <span class="k">sub </span><span class="m">SetVectorType</span> <span class="s">{</span> | |
| 379 366 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 380 367 | |
| 381 368 <span class="i">$This</span>->{<span class="w">VectorType</span>} = <span class="i">$Value</span><span class="sc">;</span> | |
| 382 369 | |
| 383 370 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 384 371 <span class="s">}</span> | |
| 385 372 | |
| 386 373 <span class="c"># Get vector type...</span> | |
| 387 <a name="GetVectorType-"></a> 374 <span class="k">sub </span><span class="m">GetVectorType</span> <span class="s">{</span> | |
| 388 375 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 389 376 | |
| 390 377 <span class="k">return</span> <span class="k">exists</span> <span class="i">$This</span>->{<span class="w">VectorType</span>} ? <span class="i">$This</span>->{<span class="w">VectorType</span>} <span class="co">:</span> <span class="q">'FingerprintsVector'</span><span class="sc">;</span> | |
| 391 378 <span class="s">}</span> | |
| 392 379 | |
| 393 380 <span class="c"># Set values of a fingerprint vector using a vector, reference to an array or an array...</span> | |
| 394 381 <span class="c">#</span> | |
| 395 <a name="SetValues-"></a> 382 <span class="k">sub </span><span class="m">SetValues</span> <span class="s">{</span> | |
| 396 383 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">@Values</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 397 384 | |
| 398 385 <span class="i">$This</span><span class="i">->_SetOrAddValuesOrValueIDs</span><span class="s">(</span><span class="q">"SetValues"</span><span class="cm">,</span> <span class="i">@Values</span><span class="s">)</span><span class="sc">;</span> | |
| 399 386 | |
| 400 387 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 401 388 <span class="s">}</span> | |
| 402 389 | |
| 403 390 <span class="c"># Set value IDs of a fingerprint vector using a vector, reference to an array or an array...</span> | |
| 404 391 <span class="c">#</span> | |
| 405 <a name="SetValueIDs-"></a> 392 <span class="k">sub </span><span class="m">SetValueIDs</span> <span class="s">{</span> | |
| 406 393 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">@Values</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 407 394 | |
| 408 395 <span class="i">$This</span><span class="i">->_SetOrAddValuesOrValueIDs</span><span class="s">(</span><span class="q">"SetValueIDs"</span><span class="cm">,</span> <span class="i">@Values</span><span class="s">)</span><span class="sc">;</span> | |
| 409 396 | |
| 410 397 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 411 398 <span class="s">}</span> | |
| 412 399 | |
| 413 400 <span class="c"># Add values to a fingerprint vector using a vector, reference to an array or an array...</span> | |
| 414 401 <span class="c">#</span> | |
| 415 <a name="AddValues-"></a> 402 <span class="k">sub </span><span class="m">AddValues</span> <span class="s">{</span> | |
| 416 403 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">@Values</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 417 404 | |
| 418 405 <span class="i">$This</span><span class="i">->_SetOrAddValuesOrValueIDs</span><span class="s">(</span><span class="q">"AddValues"</span><span class="cm">,</span> <span class="i">@Values</span><span class="s">)</span><span class="sc">;</span> | |
| 419 406 | |
| 420 407 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 421 408 <span class="s">}</span> | |
| 422 409 | |
| 423 410 <span class="c"># Add value IDs to a fingerprint vector using a vector, reference to an array or an array...</span> | |
| 424 411 <span class="c">#</span> | |
| 425 <a name="AddValueIDs-"></a> 412 <span class="k">sub </span><span class="m">AddValueIDs</span> <span class="s">{</span> | |
| 426 413 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">@Values</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 427 414 | |
| 428 415 <span class="i">$This</span><span class="i">->_SetOrAddValuesOrValueIDs</span><span class="s">(</span><span class="q">"AddValueIDs"</span><span class="cm">,</span> <span class="i">@Values</span><span class="s">)</span><span class="sc">;</span> | |
| 429 416 | |
| 430 417 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 431 418 <span class="s">}</span> | |
| 432 419 | |
| 433 420 <span class="c"># Set or add values or value IDs using:</span> | |
| 434 421 <span class="c">#</span> | |
| 435 422 <span class="c"># o List of values or ValueIDs</span> | |
| 436 423 <span class="c"># o Reference to an list of values or ValuesIDs</span> | |
| 437 424 <span class="c"># o A vector containing values or ValueIDs</span> | |
| 438 425 <span class="c">#</span> | |
| 439 <a name="_SetOrAddValuesOrValueIDs-"></a> 426 <span class="k">sub </span><span class="m">_SetOrAddValuesOrValueIDs</span> <span class="s">{</span> | |
| 440 427 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Mode</span><span class="cm">,</span> <span class="i">@Values</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 441 428 | |
| 442 429 <span class="k">if</span> <span class="s">(</span>!<span class="i">@Values</span><span class="s">)</span> <span class="s">{</span> | |
| 443 430 <span class="k">return</span><span class="sc">;</span> | |
| 444 431 <span class="s">}</span> | |
| 445 432 | |
| 446 433 <span class="c"># Collect specified values or valueIDs...</span> | |
| 447 434 <span class="k">my</span><span class="s">(</span><span class="i">$FirstValue</span><span class="cm">,</span> <span class="i">$TypeOfFirstValue</span><span class="cm">,</span> <span class="i">$ValuesRef</span><span class="s">)</span><span class="sc">;</span> | |
| 448 435 | |
| 449 436 <span class="i">$FirstValue</span> = <span class="i">$Values</span>[<span class="n">0</span>]<span class="sc">;</span> | |
| 450 437 <span class="i">$TypeOfFirstValue</span> = <span class="k">ref</span> <span class="i">$FirstValue</span><span class="sc">;</span> | |
| 451 438 <span class="k">if</span> <span class="s">(</span><span class="i">$TypeOfFirstValue</span> =~ <span class="q">/^(SCALAR|HASH|CODE|REF|GLOB)/</span><span class="s">)</span> <span class="s">{</span> | |
| 452 439 <span class="w">croak</span> <span class="q">"Error: ${ClassName}-> _SetOrAddValuesOrValueIDs: Trying to add values to vector object with a reference to unsupported value format..."</span><span class="sc">;</span> | |
| 453 440 <span class="s">}</span> | |
| 454 441 | |
| 455 442 <span class="k">if</span> <span class="s">(</span><span class="i">Vector::IsVector</span><span class="s">(</span><span class="i">$FirstValue</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
| 456 443 <span class="c"># It's a vector...</span> | |
| 457 444 <span class="i">$ValuesRef</span> = <span class="i">$FirstValue</span><span class="i">->GetValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 458 445 <span class="s">}</span> | |
| 459 446 <span class="k">elsif</span> <span class="s">(</span><span class="i">$TypeOfFirstValue</span> =~ <span class="q">/^ARRAY/</span><span class="s">)</span> <span class="s">{</span> | |
| 460 447 <span class="c"># It's an array refernce...</span> | |
| 461 448 <span class="i">$ValuesRef</span> = <span class="i">$FirstValue</span><span class="sc">;</span> | |
| 462 449 <span class="s">}</span> | |
| 463 450 <span class="k">else</span> <span class="s">{</span> | |
| 464 451 <span class="c"># It's a list of values...</span> | |
| 465 452 <span class="i">$ValuesRef</span> = \<span class="i">@Values</span><span class="sc">;</span> | |
| 466 453 <span class="s">}</span> | |
| 467 454 | |
| 468 455 <span class="c"># Set or add values or value IDs...</span> | |
| 469 456 <span class="j">MODE:</span> <span class="s">{</span> | |
| 470 457 <span class="k">if</span> <span class="s">(</span><span class="i">$Mode</span> =~ <span class="q">/^SetValues$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="k">push</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="cm">,</span> <span class="i">@</span>{<span class="i">$ValuesRef</span>}<span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | |
| 471 458 <span class="k">if</span> <span class="s">(</span><span class="i">$Mode</span> =~ <span class="q">/^SetValueIDs$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="k">push</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}}<span class="cm">,</span> <span class="i">@</span>{<span class="i">$ValuesRef</span>}<span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | |
| 472 459 <span class="k">if</span> <span class="s">(</span><span class="i">$Mode</span> =~ <span class="q">/^AddValues$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">push</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="cm">,</span> <span class="i">@</span>{<span class="i">$ValuesRef</span>}<span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | |
| 473 460 <span class="k">if</span> <span class="s">(</span><span class="i">$Mode</span> =~ <span class="q">/^AddValueIDs$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">push</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}}<span class="cm">,</span> <span class="i">@</span>{<span class="i">$ValuesRef</span>}<span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | |
| 474 461 <span class="w">croak</span> <span class="q">"Error: ${ClassName}-> _SetOrAddValuesOrValueIDs: Unknown mode $Mode..."</span><span class="sc">;</span> | |
| 475 462 <span class="s">}</span> | |
| 476 463 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 477 464 <span class="s">}</span> | |
| 478 465 | |
| 479 466 <span class="c"># Set a specific value in fingerprint vector with indicies starting from 0..</span> | |
| 480 467 <span class="c">#</span> | |
| 481 <a name="SetValue-"></a> 468 <span class="k">sub </span><span class="m">SetValue</span> <span class="s">{</span> | |
| 482 469 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Index</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$SkipCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 483 470 | |
| 484 471 <span class="c"># Just set it...</span> | |
| 485 472 <span class="k">if</span> <span class="s">(</span><span class="i">$SkipCheck</span><span class="s">)</span> <span class="s">{</span> | |
| 486 473 <span class="k">return</span> <span class="i">$This</span><span class="i">->_SetValue</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> | |
| 487 474 <span class="s">}</span> | |
| 488 475 | |
| 489 476 <span class="c"># Check and set...</span> | |
| 490 477 <span class="k">if</span> <span class="s">(</span><span class="i">$Index</span> < <span class="n">0</span><span class="s">)</span> <span class="s">{</span> | |
| 491 478 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetValue: Index value must be a positive number..."</span><span class="sc">;</span> | |
| 492 479 <span class="s">}</span> | |
| 493 480 <span class="k">if</span> <span class="s">(</span><span class="i">$Index</span> >= <span class="i">$This</span><span class="i">->GetNumOfValues</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
| 494 481 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetValue: Index vaue must be less than number of values..."</span><span class="sc">;</span> | |
| 495 482 <span class="s">}</span> | |
| 496 483 | |
| 497 484 <span class="k">return</span> <span class="i">$This</span><span class="i">->_SetValue</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> | |
| 498 485 <span class="s">}</span> | |
| 499 486 | |
| 500 487 <span class="c"># Set a fingerprint vector value...</span> | |
| 501 488 <span class="c">#</span> | |
| 502 <a name="_SetValue-"></a> 489 <span class="k">sub </span><span class="m">_SetValue</span> <span class="s">{</span> | |
| 503 490 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Index</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 504 491 | |
| 505 492 <span class="i">$This</span>->{<span class="w">Values</span>}[<span class="i">$Index</span>] = <span class="i">$Value</span><span class="sc">;</span> | |
| 506 493 | |
| 507 494 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 508 495 <span class="s">}</span> | |
| 509 496 | |
| 510 497 <span class="c"># Get a specific value from fingerprint vector with indicies starting from 0...</span> | |
| 511 498 <span class="c">#</span> | |
| 512 <a name="GetValue-"></a> 499 <span class="k">sub </span><span class="m">GetValue</span> <span class="s">{</span> | |
| 513 500 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Index</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 514 501 | |
| 515 502 <span class="k">if</span> <span class="s">(</span><span class="i">$Index</span> < <span class="n">0</span><span class="s">)</span> <span class="s">{</span> | |
| 516 503 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->GetValue: Index value must be a positive number..."</span><span class="sc">;</span> | |
| 517 504 <span class="s">}</span> | |
| 518 505 <span class="k">if</span> <span class="s">(</span><span class="i">$Index</span> >= <span class="i">$This</span><span class="i">->GetNumOfValues</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
| 519 506 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->GetValue: Index value must be less than number of values..."</span><span class="sc">;</span> | |
| 520 507 <span class="s">}</span> | |
| 521 508 <span class="k">return</span> <span class="i">$This</span><span class="i">->_GetValue</span><span class="s">(</span><span class="i">$Index</span><span class="s">)</span><span class="sc">;</span> | |
| 522 509 <span class="s">}</span> | |
| 523 510 | |
| 524 511 <span class="c"># Get a fingerprint vector value...</span> | |
| 525 <a name="_GetValue-"></a> 512 <span class="k">sub </span><span class="m">_GetValue</span> <span class="s">{</span> | |
| 526 513 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Index</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 527 514 | |
| 528 515 <span class="k">return</span> <span class="i">$This</span>->{<span class="w">Values</span>}[<span class="i">$Index</span>]<span class="sc">;</span> | |
| 529 516 <span class="s">}</span> | |
| 530 517 | |
| 531 518 <span class="c"># Return vector values as an array or reference to an array...</span> | |
| 532 519 <span class="c">#</span> | |
| 533 <a name="GetValues-"></a> 520 <span class="k">sub </span><span class="m">GetValues</span> <span class="s">{</span> | |
| 534 521 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 535 522 | |
| 536 523 <span class="k">return</span> <span class="k">wantarray</span> ? <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}} <span class="co">:</span> \<span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="sc">;</span> | |
| 537 524 <span class="s">}</span> | |
| 538 525 | |
| 539 526 <span class="c"># Set a specific value ID in fingerprint vector with indicies starting from 0..</span> | |
| 540 527 <span class="c">#</span> | |
| 541 <a name="SetValueID-"></a> 528 <span class="k">sub </span><span class="m">SetValueID</span> <span class="s">{</span> | |
| 542 529 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Index</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$SkipCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 543 530 | |
| 544 531 <span class="c"># Just set it...</span> | |
| 545 532 <span class="k">if</span> <span class="s">(</span><span class="i">$SkipCheck</span><span class="s">)</span> <span class="s">{</span> | |
| 546 533 <span class="k">return</span> <span class="i">$This</span><span class="i">->_SetValueID</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> | |
| 547 534 <span class="s">}</span> | |
| 548 535 | |
| 549 536 <span class="c"># Check and set...</span> | |
| 550 537 <span class="k">if</span> <span class="s">(</span><span class="i">$Index</span> < <span class="n">0</span><span class="s">)</span> <span class="s">{</span> | |
| 551 538 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetValueID: Index value must be a positive number..."</span><span class="sc">;</span> | |
| 552 539 <span class="s">}</span> | |
| 553 540 <span class="k">if</span> <span class="s">(</span><span class="i">$Index</span> >= <span class="i">$This</span><span class="i">->GetNumOfValueIDs</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
| 554 541 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetValueID: Index vaue must be less than number of value IDs..."</span><span class="sc">;</span> | |
| 555 542 <span class="s">}</span> | |
| 556 543 | |
| 557 544 <span class="k">return</span> <span class="i">$This</span><span class="i">->_SetValueID</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> | |
| 558 545 <span class="s">}</span> | |
| 559 546 | |
| 560 547 <span class="c"># Set a fingerprint vector value ID...</span> | |
| 561 548 <span class="c">#</span> | |
| 562 <a name="_SetValueID-"></a> 549 <span class="k">sub </span><span class="m">_SetValueID</span> <span class="s">{</span> | |
| 563 550 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Index</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 564 551 | |
| 565 552 <span class="i">$This</span>->{<span class="w">ValueIDs</span>}[<span class="i">$Index</span>] = <span class="i">$Value</span><span class="sc">;</span> | |
| 566 553 | |
| 567 554 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
| 568 555 <span class="s">}</span> | |
| 569 556 | |
| 570 557 <span class="c"># Get a specific value ID from fingerprint vector with indicies starting from 0...</span> | |
| 571 558 <span class="c">#</span> | |
| 572 <a name="GetValueID-"></a> 559 <span class="k">sub </span><span class="m">GetValueID</span> <span class="s">{</span> | |
| 573 560 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Index</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 574 561 | |
| 575 562 <span class="k">if</span> <span class="s">(</span><span class="i">$Index</span> < <span class="n">0</span><span class="s">)</span> <span class="s">{</span> | |
| 576 563 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->GetValueID: Index value must be a positive number..."</span><span class="sc">;</span> | |
| 577 564 <span class="s">}</span> | |
| 578 565 <span class="k">if</span> <span class="s">(</span><span class="i">$Index</span> >= <span class="i">$This</span><span class="i">->GetNumOfValueIDs</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
| 579 566 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->GetValueID: Index value must be less than number of value IDs..."</span><span class="sc">;</span> | |
| 580 567 <span class="s">}</span> | |
| 581 568 <span class="k">return</span> <span class="i">$This</span><span class="i">->_GetValueID</span><span class="s">(</span><span class="i">$Index</span><span class="s">)</span><span class="sc">;</span> | |
| 582 569 <span class="s">}</span> | |
| 583 570 | |
| 584 571 <span class="c"># Get a fingerprint vector value ID...</span> | |
| 585 572 <span class="c">#</span> | |
| 586 <a name="_GetValueID-"></a> 573 <span class="k">sub </span><span class="m">_GetValueID</span> <span class="s">{</span> | |
| 587 574 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Index</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 588 575 | |
| 589 576 <span class="k">return</span> <span class="i">$This</span>->{<span class="w">ValueIDs</span>}[<span class="i">$Index</span>]<span class="sc">;</span> | |
| 590 577 <span class="s">}</span> | |
| 591 578 | |
| 592 579 <span class="c"># Return vector value IDs as an array or reference to an array...</span> | |
| 593 580 <span class="c">#</span> | |
| 594 <a name="GetValueIDs-"></a> 581 <span class="k">sub </span><span class="m">GetValueIDs</span> <span class="s">{</span> | |
| 595 582 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 596 583 | |
| 597 584 <span class="k">return</span> <span class="k">wantarray</span> ? <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}} <span class="co">:</span> \<span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}}<span class="sc">;</span> | |
| 598 585 <span class="s">}</span> | |
| 599 586 | |
| 600 587 <span class="c"># Get fingerprints vector string containing values and/or IDs string in a specifed format...</span> | |
| 601 588 <span class="c">#</span> | |
| 602 <a name="GetFingerprintsVectorString-"></a> 589 <span class="k">sub </span><span class="m">GetFingerprintsVectorString</span> <span class="s">{</span> | |
| 603 590 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Format</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 604 591 | |
| 605 592 <span class="j">FORMAT :</span> <span class="s">{</span> | |
| 606 593 <span class="k">if</span> <span class="s">(</span><span class="i">$Format</span> =~ <span class="q">/^(IDsAndValuesString|IDsAndValues)$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">return</span> <span class="i">$This</span><span class="i">->GetIDsAndValuesString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="k">last</span> <span class="j">FORMAT</span><span class="sc">;</span> <span class="s">}</span> | |
| 607 594 <span class="k">if</span> <span class="s">(</span><span class="i">$Format</span> =~ <span class="q">/^(IDsAndValuesPairsString|IDsAndValuesPairs)$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">return</span> <span class="i">$This</span><span class="i">->GetIDsAndValuesPairsString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="k">last</span> <span class="j">FORMAT</span><span class="sc">;</span> <span class="s">}</span> | |
| 608 595 <span class="k">if</span> <span class="s">(</span><span class="i">$Format</span> =~ <span class="q">/^(ValuesAndIDsString|ValuesAndIDs)$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">return</span> <span class="i">$This</span><span class="i">->GetValuesAndIDsString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="k">last</span> <span class="j">FORMAT</span><span class="sc">;</span> <span class="s">}</span> | |
| 609 596 <span class="k">if</span> <span class="s">(</span><span class="i">$Format</span> =~ <span class="q">/^(ValuesAndIDsPairsString|ValuesAndIDsPairs)$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">return</span> <span class="i">$This</span><span class="i">->GetValuesAndIDsPairsString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="k">last</span> <span class="j">FORMAT</span><span class="sc">;</span><span class="s">}</span> | |
| 610 597 <span class="k">if</span> <span class="s">(</span><span class="i">$Format</span> =~ <span class="q">/^(ValueIDsString|ValueIDs)$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">return</span> <span class="i">$This</span><span class="i">->GetValueIDsString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="k">last</span> <span class="j">FORMAT</span><span class="sc">;</span> <span class="s">}</span> | |
| 611 598 <span class="k">if</span> <span class="s">(</span><span class="i">$Format</span> =~ <span class="q">/^(ValuesString|Values)$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">return</span> <span class="i">$This</span><span class="i">->GetValuesString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="k">last</span> <span class="j">FORMAT</span><span class="sc">;</span> <span class="s">}</span> | |
| 612 599 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->GetFingerprintsVectorString: Specified vector string format, $Format, is not supported. Value values: IDsAndValuesString, IDsAndValues, IDsAndValuesPairsString, IDsAndValuesPairs, ValuesAndIDsString, ValuesAndIDs, ValuesAndIDsPairsString, ValuesAndIDsPairs, ValueIDsString, ValueIDs, ValuesString, Values..."</span><span class="sc">;</span> | |
| 613 600 <span class="s">}</span> | |
| 614 601 <span class="k">return</span> <span class="q">''</span><span class="sc">;</span> | |
| 615 602 <span class="s">}</span> | |
| 616 603 <span class="c"># Get vector value IDs and values string as space delimited ASCII string separated</span> | |
| 617 604 <span class="c"># by semicolon...</span> | |
| 618 605 <span class="c">#</span> | |
| 619 <a name="GetIDsAndValuesString-"></a> 606 <span class="k">sub </span><span class="m">GetIDsAndValuesString</span> <span class="s">{</span> | |
| 620 607 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 621 608 | |
| 622 609 <span class="k">if</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}} && <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 623 610 <span class="c"># Both IDs and values are available...</span> | |
| 624 611 <span class="k">return</span> <span class="k">join</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}}<span class="s">)</span> . <span class="q">";"</span> . <span class="k">join</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="s">)</span><span class="sc">;</span> | |
| 625 612 <span class="s">}</span> | |
| 626 613 <span class="k">elsif</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 627 614 <span class="c"># Only values are available...</span> | |
| 628 615 <span class="k">return</span> <span class="q">"None;"</span> . <span class="k">join</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="s">)</span><span class="sc">;</span> | |
| 629 616 <span class="s">}</span> | |
| 630 617 <span class="k">else</span> <span class="s">{</span> | |
| 631 618 <span class="c"># Values are not available...</span> | |
| 632 619 <span class="k">return</span> <span class="q">"None;None"</span><span class="sc">;</span> | |
| 633 620 <span class="s">}</span> | |
| 634 621 <span class="s">}</span> | |
| 635 622 | |
| 636 623 <span class="c"># Get vector value IDs and value pairs string as space delimited ASCII string...</span> | |
| 637 624 <span class="c">#</span> | |
| 638 <a name="GetIDsAndValuesPairsString-"></a> 625 <span class="k">sub </span><span class="m">GetIDsAndValuesPairsString</span> <span class="s">{</span> | |
| 639 626 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 640 627 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$ValueIDsPresent</span><span class="cm">,</span> <span class="i">@IDsAndValuesPairs</span><span class="s">)</span><span class="sc">;</span> | |
| 641 628 | |
| 642 629 <span class="k">if</span> <span class="s">(</span>!<span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 643 630 <span class="c"># Values are unavailable...</span> | |
| 644 631 <span class="k">return</span> <span class="q">"None None"</span><span class="sc">;</span> | |
| 645 632 <span class="s">}</span> | |
| 646 633 | |
| 647 634 <span class="i">$ValueIDsPresent</span> = <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}} ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 648 635 | |
| 649 636 <span class="i">@IDsAndValuesPairs</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 650 637 <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 651 638 <span class="k">if</span> <span class="s">(</span><span class="i">$ValueIDsPresent</span><span class="s">)</span> <span class="s">{</span> | |
| 652 639 <span class="k">push</span> <span class="i">@IDsAndValuesPairs</span><span class="cm">,</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">ValueIDs</span>}->[<span class="i">$Index</span>]<span class="cm">,</span> <span class="i">$This</span>->{<span class="w">Values</span>}->[<span class="i">$Index</span>]<span class="s">)</span><span class="sc">;</span> | |
| 653 640 <span class="s">}</span> | |
| 654 641 <span class="k">else</span> <span class="s">{</span> | |
| 655 642 <span class="k">push</span> <span class="i">@IDsAndValuesPairs</span><span class="cm">,</span> <span class="s">(</span><span class="q">'None'</span><span class="cm">,</span> <span class="i">$This</span>->{<span class="w">Values</span>}->[<span class="i">$Index</span>]<span class="s">)</span><span class="sc">;</span> | |
| 656 643 <span class="s">}</span> | |
| 657 644 <span class="s">}</span> | |
| 658 645 <span class="k">return</span> <span class="k">join</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">@IDsAndValuesPairs</span><span class="s">)</span><span class="sc">;</span> | |
| 659 646 <span class="s">}</span> | |
| 660 647 | |
| 661 648 <span class="c"># Get vector value and value IDs string as space delimited ASCII string separated</span> | |
| 662 649 <span class="c"># by semicolon...</span> | |
| 663 650 <span class="c">#</span> | |
| 664 <a name="GetValuesAndIDsString-"></a> 651 <span class="k">sub </span><span class="m">GetValuesAndIDsString</span> <span class="s">{</span> | |
| 665 652 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 666 653 | |
| 667 654 <span class="k">if</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}} && <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 668 655 <span class="c"># Both IDs and values are available...</span> | |
| 669 656 <span class="k">return</span> <span class="k">join</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="s">)</span> . <span class="q">";"</span> . <span class="k">join</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}}<span class="s">)</span><span class="sc">;</span> | |
| 670 657 <span class="s">}</span> | |
| 671 658 <span class="k">elsif</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 672 659 <span class="c"># Only values are available...</span> | |
| 673 660 <span class="k">return</span> <span class="k">join</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="s">)</span> . <span class="q">";None"</span><span class="sc">;</span> | |
| 674 661 <span class="s">}</span> | |
| 675 662 <span class="k">else</span> <span class="s">{</span> | |
| 676 663 <span class="c"># Values are not available...</span> | |
| 677 664 <span class="k">return</span> <span class="q">"None;None"</span><span class="sc">;</span> | |
| 678 665 <span class="s">}</span> | |
| 679 666 <span class="s">}</span> | |
| 680 667 | |
| 681 668 <span class="c"># Get vector value and value ID pairs string as space delimited ASCII string...</span> | |
| 682 669 <span class="c">#</span> | |
| 683 <a name="GetValuesAndIDsPairsString-"></a> 670 <span class="k">sub </span><span class="m">GetValuesAndIDsPairsString</span> <span class="s">{</span> | |
| 684 671 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 685 672 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$ValueIDsPresent</span><span class="cm">,</span> <span class="i">@ValuesAndIDsPairs</span><span class="s">)</span><span class="sc">;</span> | |
| 686 673 | |
| 687 674 <span class="k">if</span> <span class="s">(</span>!<span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 688 675 <span class="c"># Values are unavailable...</span> | |
| 689 676 <span class="k">return</span> <span class="q">"None None"</span><span class="sc">;</span> | |
| 690 677 <span class="s">}</span> | |
| 691 678 | |
| 692 679 <span class="i">$ValueIDsPresent</span> = <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}} ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 693 680 | |
| 694 681 <span class="i">@ValuesAndIDsPairs</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 695 682 <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 696 683 <span class="k">if</span> <span class="s">(</span><span class="i">$ValueIDsPresent</span><span class="s">)</span> <span class="s">{</span> | |
| 697 684 <span class="k">push</span> <span class="i">@ValuesAndIDsPairs</span><span class="cm">,</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">Values</span>}->[<span class="i">$Index</span>]<span class="cm">,</span> <span class="i">$This</span>->{<span class="w">ValueIDs</span>}->[<span class="i">$Index</span>]<span class="s">)</span><span class="sc">;</span> | |
| 698 685 <span class="s">}</span> | |
| 699 686 <span class="k">else</span> <span class="s">{</span> | |
| 700 687 <span class="k">push</span> <span class="i">@ValuesAndIDsPairs</span><span class="cm">,</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">Values</span>}->[<span class="i">$Index</span>]<span class="cm">,</span> <span class="q">'None'</span><span class="s">)</span><span class="sc">;</span> | |
| 701 688 <span class="s">}</span> | |
| 702 689 <span class="s">}</span> | |
| 703 690 <span class="k">return</span> <span class="k">join</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">@ValuesAndIDsPairs</span><span class="s">)</span><span class="sc">;</span> | |
| 704 691 <span class="s">}</span> | |
| 705 692 | |
| 706 693 <span class="c"># Get vector value IDs string as space delimited ASCII string...</span> | |
| 707 694 <span class="c">#</span> | |
| 708 <a name="GetValueIDsString-"></a> 695 <span class="k">sub </span><span class="m">GetValueIDsString</span> <span class="s">{</span> | |
| 709 696 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 710 697 | |
| 711 698 <span class="k">return</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}} ? <span class="k">join</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}}<span class="s">)</span> <span class="co">:</span> <span class="q">'None'</span><span class="sc">;</span> | |
| 712 699 <span class="s">}</span> | |
| 713 700 | |
| 714 701 <span class="c"># Get vector value string as space delimited ASCII string...</span> | |
| 715 702 <span class="c">#</span> | |
| 716 <a name="GetValuesString-"></a> 703 <span class="k">sub </span><span class="m">GetValuesString</span> <span class="s">{</span> | |
| 717 704 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 718 705 | |
| 719 706 <span class="k">return</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}} ? <span class="k">join</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="s">)</span> <span class="co">:</span> <span class="q">'None'</span><span class="sc">;</span> | |
| 720 707 <span class="s">}</span> | |
| 721 708 | |
| 722 709 <span class="c"># Get number of values...</span> | |
| 723 <a name="GetNumOfValues-"></a> 710 <span class="k">sub </span><span class="m">GetNumOfValues</span> <span class="s">{</span> | |
| 724 711 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 725 712 | |
| 726 713 <span class="k">return</span> <span class="k">scalar</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}}<span class="sc">;</span> | |
| 727 714 <span class="s">}</span> | |
| 728 715 | |
| 729 716 <span class="c"># Get number of non-zero values...</span> | |
| 730 <a name="GetNumOfNonZeroValues-"></a> 717 <span class="k">sub </span><span class="m">GetNumOfNonZeroValues</span> <span class="s">{</span> | |
| 731 718 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 732 719 <span class="k">my</span><span class="s">(</span><span class="i">$Count</span><span class="cm">,</span> <span class="i">$Index</span><span class="cm">,</span> <span class="i">$Size</span><span class="s">)</span><span class="sc">;</span> | |
| 733 720 | |
| 734 721 <span class="i">$Count</span> = <span class="n">0</span><span class="sc">;</span> | |
| 735 722 <span class="i">$Size</span> = <span class="i">$This</span><span class="i">->GetNumOfValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 736 723 | |
| 737 724 <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="s">(</span><span class="i">$Size</span> -<span class="n">1</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
| 738 725 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">Values</span>}[<span class="i">$Index</span>] != <span class="n">0</span><span class="s">)</span> <span class="s">{</span> | |
| 739 726 <span class="i">$Count</span>++<span class="sc">;</span> | |
| 740 727 <span class="s">}</span> | |
| 741 728 <span class="s">}</span> | |
| 742 729 <span class="k">return</span> <span class="i">$Count</span><span class="sc">;</span> | |
| 743 730 <span class="s">}</span> | |
| 744 731 | |
| 745 732 <span class="c"># Get number of value IDs...</span> | |
| 746 <a name="GetNumOfValueIDs-"></a> 733 <span class="k">sub </span><span class="m">GetNumOfValueIDs</span> <span class="s">{</span> | |
| 747 734 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 748 735 | |
| 749 736 <span class="k">return</span> <span class="k">scalar</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}}<span class="sc">;</span> | |
| 750 737 <span class="s">}</span> | |
| 751 738 | |
| 752 739 <span class="c"># FinegerprintsVectors class provides methods to calculate similarity between vectors</span> | |
| 753 740 <span class="c"># containing three different types of values:</span> | |
| 754 741 <span class="c">#</span> | |
| 755 742 <span class="c"># Type I: OrderedNumericalValues</span> | |
| 756 743 <span class="c">#</span> | |
| 757 744 <span class="c"># . Size of two vectors are same</span> | |
| 758 745 <span class="c"># . Vectors contain real values in a specific order. For example: MACCS keys count, Topological</span> | |
| 759 746 <span class="c"># pharnacophore atom pairs and so on.</span> | |
| 760 747 <span class="c"># . Option to calculate similarity value using continious values or binary values</span> | |
| 761 748 <span class="c">#</span> | |
| 762 749 <span class="c"># Type II: UnorderedNumericalValues</span> | |
| 763 750 <span class="c">#</span> | |
| 764 751 <span class="c"># . Size of two vectors might not be same</span> | |
| 765 752 <span class="c"># . Vectors contain unordered real value identified by value IDs. For example: Toplogical atom pairs,</span> | |
| 766 753 <span class="c"># Topological atom torsions and so on</span> | |
| 767 754 <span class="c"># . Option to calculate similarity value using continous values or binary values</span> | |
| 768 755 <span class="c">#</span> | |
| 769 756 <span class="c"># Type III: AlphaNumericalValues</span> | |
| 770 757 <span class="c">#</span> | |
| 771 758 <span class="c"># . Size of two vectors might not be same</span> | |
| 772 759 <span class="c"># . Vectors contain unordered alphanumerical values. For example: Extended connectivity fingerprints,</span> | |
| 773 760 <span class="c"># atom neighbothood fingerpritns.</span> | |
| 774 761 <span class="c"># . The vector values are treated as keys or bit indices and similarity value is calculated accordingly.</span> | |
| 775 762 <span class="c">#</span> | |
| 776 763 <span class="c"># Before performing similarity or distance calculations between vectors containing UnorderedNumericalValues</span> | |
| 777 764 <span class="c"># or AlphaNumericalValues, the vectors are tranformed into vectors containing unique OrderedNumericalValues</span> | |
| 778 765 <span class="c"># using value IDs for UnorderedNumericalValues and values itself for AlphaNumericalValues.</span> | |
| 779 766 <span class="c">#</span> | |
| 780 767 <span class="c"># Three forms similarity or distance calculation between two vectors: AlgebraicForm, BinaryForm or</span> | |
| 781 768 <span class="c"># SetTheoreticForm.</span> | |
| 782 769 <span class="c">#</span> | |
| 783 770 <span class="c"># The value of an extra paramter, CalculationMode, passed to each similarity or distance function</span> | |
| 784 771 <span class="c"># controls the calculation. Supported values for CalculationMode: AlgebraicForm, BinaryForm and</span> | |
| 785 772 <span class="c"># SetTheoreticForm. Default: AlgebraicForm.</span> | |
| 786 773 <span class="c">#</span> | |
| 787 774 <span class="c"># For BinaryForm CalculationMode, the ordered list of processed final vector values containing the value or</span> | |
| 788 775 <span class="c"># count of each unique value type is simply converted into a binary vector containing 1s and 0s</span> | |
| 789 776 <span class="c"># corresponding to presence or absence of values before calculating similarity or distance between</span> | |
| 790 777 <span class="c"># two vectors.</span> | |
| 791 778 <span class="c">#</span> | |
| 792 779 <span class="c"># For two fingerprint vectors A and B of same size containing OrderedNumericalValues, let:</span> | |
| 793 780 <span class="c">#</span> | |
| 794 781 <span class="c"># N = Number values in A or B</span> | |
| 795 782 <span class="c">#</span> | |
| 796 783 <span class="c"># Xa = Values of vector A</span> | |
| 797 784 <span class="c"># Xb = Values of vector B</span> | |
| 798 785 <span class="c">#</span> | |
| 799 786 <span class="c"># Xai = Value of ith element in A</span> | |
| 800 787 <span class="c"># Xbi = Value of ith element in B</span> | |
| 801 788 <span class="c">#</span> | |
| 802 789 <span class="c"># SUM = Sum of i over N values</span> | |
| 803 790 <span class="c">#</span> | |
| 804 791 <span class="c"># For SetTheoreticForm of calculation between two vectors, let:</span> | |
| 805 792 <span class="c">#</span> | |
| 806 793 <span class="c"># SetIntersectionXaXb = SUM ( MIN ( Xai, Xbi ) )</span> | |
| 807 794 <span class="c"># SetDifferenceXaXb = SUM ( Xai ) + SUM ( Xbi ) - SUM ( MIN ( Xai, Xbi ) )</span> | |
| 808 795 <span class="c">#</span> | |
| 809 796 <span class="c"># For BinaryForm of calculation between two vectors, let:</span> | |
| 810 797 <span class="c">#</span> | |
| 811 798 <span class="c"># Na = Number of bits set to "1" in A = SUM ( Xai )</span> | |
| 812 799 <span class="c"># Nb = Number of bits set to "1" in B = SUM ( Xbi )</span> | |
| 813 800 <span class="c"># Nc = Number of bits set to "1" in both A and B = SUM ( Xai * Xbi )</span> | |
| 814 801 <span class="c"># Nd = Number of bits set to "0" in both A and B = SUM ( 1 - Xai - Xbi + Xai * Xbi)</span> | |
| 815 802 <span class="c">#</span> | |
| 816 803 <span class="c"># N = Number of bits set to "1" or "0" in A or B = Size of A or B = Na + Nb - Nc + Nd</span> | |
| 817 804 <span class="c">#</span> | |
| 818 805 <span class="c"># Additionally, for BinaryForm various values also correspond to:</span> | |
| 819 806 <span class="c">#</span> | |
| 820 807 <span class="c"># Na = | Xa |</span> | |
| 821 808 <span class="c"># Nb = | Xb |</span> | |
| 822 809 <span class="c"># Nc = | SetIntersectionXaXb |</span> | |
| 823 810 <span class="c"># Nd = N - | SetDifferenceXaXb |</span> | |
| 824 811 <span class="c">#</span> | |
| 825 812 <span class="c"># | SetDifferenceXaXb | = N - Nd = Na + Nb - Nc + Nd - Nd = Na + Nb - Nc</span> | |
| 826 813 <span class="c"># = | Xa | + | Xb | - | SetIntersectionXaXb |</span> | |
| 827 814 <span class="c">#</span> | |
| 828 815 <span class="c"># Various distance coefficients and similarity coefficients [ Ref 40, Ref 62, Ref 64 ] for a pair vectors A and B</span> | |
| 829 816 <span class="c"># in AlgebraicForm and BinaryForm are defined as follows:</span> | |
| 830 817 <span class="c">#</span> | |
| 831 818 <span class="c"># . CityBlockDistanceCoefficient: ( same as HammingDistanceCoefficient and ManhattanDistanceCoefficient)</span> | |
| 832 819 <span class="c">#</span> | |
| 833 820 <span class="c"># . AlgebraicForm: SUM ( ABS ( Xai - Xbi ) )</span> | |
| 834 821 <span class="c">#</span> | |
| 835 822 <span class="c"># . BinaryForm: ( Na - Nc ) + ( Nb - Nc ) = Na + Nb - 2 * Nc</span> | |
| 836 823 <span class="c">#</span> | |
| 837 824 <span class="c"># . SetTheoreticForm: | SetDifferenceXaXb | - | SetIntersectionXaXb |</span> | |
| 838 825 <span class="c"># = SUM ( Xai ) + SUM ( Xbi ) - 2 * ( SUM ( MIN ( Xai, Xbi ) ) )</span> | |
| 839 826 <span class="c">#</span> | |
| 840 827 <span class="c"># . CosineSimilarityCoefficient: ( same as OchiaiSimilarityCoefficient)</span> | |
| 841 828 <span class="c">#</span> | |
| 842 829 <span class="c"># . AlgebraicForm: SUM ( Xai * Xbi ) / SQRT ( SUM ( Xai ** 2) * SUM ( Xbi ** 2) )</span> | |
| 843 830 <span class="c">#</span> | |
| 844 831 <span class="c"># . BinaryForm: Nc / SQRT ( Na * Nb)</span> | |
| 845 832 <span class="c">#</span> | |
| 846 833 <span class="c"># . SetTheoreticForm: | SetIntersectionXaXb | / SQRT ( |Xa| * |Xb| )</span> | |
| 847 834 <span class="c"># = SUM ( MIN ( Xai, Xbi ) ) / SQRT ( SUM ( Xai ) * SUM ( Xbi ) )</span> | |
| 848 835 <span class="c">#</span> | |
| 849 836 <span class="c"># . CzekanowskiSimilarityCoefficient: ( same as DiceSimilarityCoefficient and SorensonSimilarityCoefficient)</span> | |
| 850 837 <span class="c">#</span> | |
| 851 838 <span class="c"># . AlgebraicForm: ( 2 * ( SUM ( Xai * Xbi ) ) ) / ( SUM ( Xai ** 2) + SUM ( Xbi **2 ) )</span> | |
| 852 839 <span class="c">#</span> | |
| 853 840 <span class="c"># . BinaryForm: 2 * Nc / ( Na + Nb )</span> | |
| 854 841 <span class="c">#</span> | |
| 855 842 <span class="c"># . SetTheoreticForm: 2 * | SetIntersectionXaXb | / ( |Xa| + |Xb| )</span> | |
| 856 843 <span class="c"># = 2 * ( SUM ( MIN ( Xai, Xbi ) ) ) / ( SUM ( Xai ) + SUM ( Xbi ) )</span> | |
| 857 844 <span class="c">#</span> | |
| 858 845 <span class="c"># . DiceSimilarityCoefficient: ( same as CzekanowskiSimilarityCoefficient and SorensonSimilarityCoefficient)</span> | |
| 859 846 <span class="c">#</span> | |
| 860 847 <span class="c"># . AlgebraicForm: ( 2 * ( SUM ( Xai * Xbi ) ) ) / ( SUM ( Xai ** 2) + SUM ( Xbi **2 ) )</span> | |
| 861 848 <span class="c">#</span> | |
| 862 849 <span class="c"># . BinaryForm: 2 * Nc / ( Na + Nb )</span> | |
| 863 850 <span class="c">#</span> | |
| 864 851 <span class="c"># . SetTheoreticForm: 2 * | SetIntersectionXaXb | / ( |Xa| + |Xb| )</span> | |
| 865 852 <span class="c"># = 2 * ( SUM ( MIN ( Xai, Xbi ) ) ) / ( SUM ( Xai ) + SUM ( Xbi ) )</span> | |
| 866 853 <span class="c">#</span> | |
| 867 854 <span class="c"># . EuclideanDistanceCoefficient:</span> | |
| 868 855 <span class="c">#</span> | |
| 869 856 <span class="c"># . AlgebraicForm: SQRT ( SUM ( ( ( Xai - Xbi ) ** 2 ) ) )</span> | |
| 870 857 <span class="c">#</span> | |
| 871 858 <span class="c"># . BinaryForm: SQRT ( ( Na - Nc ) + ( Nb - Nc ) ) = SQRT ( Na + Nb - 2 * Nc )</span> | |
| 872 859 <span class="c">#</span> | |
| 873 860 <span class="c"># . SetTheoreticForm: SQRT ( | SetDifferenceXaXb | - | SetIntersectionXaXb | )</span> | |
| 874 861 <span class="c"># = SQRT ( SUM ( Xai ) + SUM ( Xbi ) - 2 * ( SUM ( MIN ( Xai, Xbi ) ) ) )</span> | |
| 875 862 <span class="c">#</span> | |
| 876 863 <span class="c"># . HammingDistanceCoefficient: ( same as CityBlockDistanceCoefficient and ManhattanDistanceCoefficient)</span> | |
| 877 864 <span class="c">#</span> | |
| 878 865 <span class="c"># . AlgebraicForm: SUM ( ABS ( Xai - Xbi ) )</span> | |
| 879 866 <span class="c">#</span> | |
| 880 867 <span class="c"># . BinaryForm: ( Na - Nc ) + ( Nb - Nc ) = Na + Nb - 2 * Nc</span> | |
| 881 868 <span class="c">#</span> | |
| 882 869 <span class="c"># . SetTheoreticForm: | SetDifferenceXaXb | - | SetIntersectionXaXb |</span> | |
| 883 870 <span class="c"># = SUM ( Xai ) + SUM ( Xbi ) - 2 * ( SUM ( MIN ( Xai, Xbi ) ) )</span> | |
| 884 871 <span class="c">#</span> | |
| 885 872 <span class="c"># . JaccardSimilarityCoefficient: ( same as TanimotoSimilarityCoefficient)</span> | |
| 886 873 <span class="c">#</span> | |
| 887 874 <span class="c"># . AlgebraicForm: SUM ( Xai * Xbi ) / ( SUM ( Xai ** 2 ) + SUM ( Xbi ** 2 ) - SUM ( Xai * Xbi ) )</span> | |
| 888 875 <span class="c">#</span> | |
| 889 876 <span class="c"># . BinaryForm: Nc / ( ( Na - Nc ) + ( Nb - Nc ) + Nc ) = Nc / ( Na + Nb - Nc )</span> | |
| 890 877 <span class="c">#</span> | |
| 891 878 <span class="c"># . SetTheoreticForm: | SetIntersectionXaXb | / | SetDifferenceXaXb |</span> | |
| 892 879 <span class="c"># = SUM ( MIN ( Xai, Xbi ) ) / ( SUM ( Xai ) + SUM ( Xbi ) - SUM ( MIN ( Xai, Xbi ) ) )</span> | |
| 893 880 <span class="c">#</span> | |
| 894 881 <span class="c"># . ManhattanDistanceCoefficient: ( same as CityBlockDistanceCoefficient and HammingDistanceCoefficient)</span> | |
| 895 882 <span class="c">#</span> | |
| 896 883 <span class="c"># . AlgebraicForm: SUM ( ABS ( Xai - Xbi ) )</span> | |
| 897 884 <span class="c">#</span> | |
| 898 885 <span class="c"># . BinaryForm: ( Na - Nc ) + ( Nb - Nc ) = Na + Nb - 2 * Nc</span> | |
| 899 886 <span class="c">#</span> | |
| 900 887 <span class="c"># . SetTheoreticForm: | SetDifferenceXaXb | - | SetIntersectionXaXb |</span> | |
| 901 888 <span class="c"># = SUM ( Xai ) + SUM ( Xbi ) - 2 * ( SUM ( MIN ( Xai, Xbi ) ) )</span> | |
| 902 889 <span class="c">#</span> | |
| 903 890 <span class="c"># . OchiaiSimilarityCoefficient: ( same as CosineSimilarityCoefficient)</span> | |
| 904 891 <span class="c">#</span> | |
| 905 892 <span class="c"># . AlgebraicForm: SUM ( Xai * Xbi ) / SQRT ( SUM ( Xai ** 2) * SUM ( Xbi ** 2) )</span> | |
| 906 893 <span class="c">#</span> | |
| 907 894 <span class="c"># . BinaryForm: Nc / SQRT ( Na * Nb)</span> | |
| 908 895 <span class="c">#</span> | |
| 909 896 <span class="c"># . SetTheoreticForm: | SetIntersectionXaXb | / SQRT ( |Xa| * |Xb| )</span> | |
| 910 897 <span class="c"># = SUM ( MIN ( Xai, Xbi ) ) / SQRT ( SUM ( Xai ) * SUM ( Xbi ) )</span> | |
| 911 898 <span class="c">#</span> | |
| 912 899 <span class="c"># . SorensonSimilarityCoefficient: ( same as CzekanowskiSimilarityCoefficient and DiceSimilarityCoefficient)</span> | |
| 913 900 <span class="c">#</span> | |
| 914 901 <span class="c"># . AlgebraicForm: ( 2 * ( SUM ( Xai * Xbi ) ) ) / ( SUM ( Xai ** 2) + SUM ( Xbi **2 ) )</span> | |
| 915 902 <span class="c">#</span> | |
| 916 903 <span class="c"># . BinaryForm: 2 * Nc / ( Na + Nb )</span> | |
| 917 904 <span class="c">#</span> | |
| 918 905 <span class="c"># . SetTheoreticForm: 2 * | SetIntersectionXaXb | / ( |Xa| + |Xb| )</span> | |
| 919 906 <span class="c"># = 2 * ( SUM ( MIN ( Xai, Xbi ) ) ) / ( SUM ( Xai ) + SUM ( Xbi ) )</span> | |
| 920 907 <span class="c">#</span> | |
| 921 908 <span class="c"># . SoergelDistanceCoefficient:</span> | |
| 922 909 <span class="c">#</span> | |
| 923 910 <span class="c"># . AlgebraicForm: SUM ( ABS ( Xai - Xbi ) ) / SUM ( MAX ( Xai, Xbi ) )</span> | |
| 924 911 <span class="c">#</span> | |
| 925 912 <span class="c"># . BinaryForm: 1 - Nc / ( Na + Nb - Nc ) = ( Na + Nb - 2 * Nc ) / ( Na + Nb - Nc )</span> | |
| 926 913 <span class="c">#</span> | |
| 927 914 <span class="c"># . SetTheoreticForm: ( | SetDifferenceXaXb | - | SetIntersectionXaXb | ) / | SetDifferenceXaXb |</span> | |
| 928 915 <span class="c"># = ( SUM ( Xai ) + SUM ( Xbi ) - 2 * ( SUM ( MIN ( Xai, Xbi ) ) ) ) / ( SUM ( Xai ) + SUM ( Xbi ) - SUM ( MIN ( Xai, Xbi ) ) )</span> | |
| 929 916 <span class="c">#</span> | |
| 930 917 <span class="c"># . TanimotoSimilarityCoefficient: ( same as JaccardSimilarityCoefficient)</span> | |
| 931 918 <span class="c">#</span> | |
| 932 919 <span class="c"># . AlgebraicForm: SUM ( Xai * Xbi ) / ( SUM ( Xai ** 2 ) + SUM ( Xbi ** 2 ) - SUM ( Xai * Xbi ) )</span> | |
| 933 920 <span class="c">#</span> | |
| 934 921 <span class="c"># . BinaryForm: Nc / ( ( Na - Nc ) + ( Nb - Nc ) + Nc ) = Nc / ( Na + Nb - Nc )</span> | |
| 935 922 <span class="c">#</span> | |
| 936 923 <span class="c"># . SetTheoreticForm: | SetIntersectionXaXb | / | SetDifferenceXaXb |</span> | |
| 937 924 <span class="c"># = SUM ( MIN ( Xai, Xbi ) ) / ( SUM ( Xai ) + SUM ( Xbi ) - SUM ( MIN ( Xai, Xbi ) ) )</span> | |
| 938 925 <span class="c">#</span> | |
| 939 926 <span class="c">#</span> | |
| 940 927 | |
| 941 928 <span class="c"># Calculate Hamming distance coefficient between two fingerprint vectors.</span> | |
| 942 929 <span class="c">#</span> | |
| 943 930 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 944 931 <span class="c">#</span> | |
| 945 <a name="HammingDistanceCoefficient-"></a> 932 <span class="k">sub </span><span class="m">HammingDistanceCoefficient ($$;$$)</span> <span class="s">{</span> | |
| 946 933 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 947 934 | |
| 948 935 <span class="k">return</span> <span class="i">CityBlockDistanceCoefficient</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 949 936 <span class="s">}</span> | |
| 950 937 | |
| 951 938 <span class="c"># Calculate Hamming distance coefficient between two fingerprint vectors.</span> | |
| 952 939 <span class="c">#</span> | |
| 953 940 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 954 941 <span class="c">#</span> | |
| 955 <a name="ManhattanDistanceCoefficient-"></a> 942 <span class="k">sub </span><span class="m">ManhattanDistanceCoefficient ($$;$$)</span> <span class="s">{</span> | |
| 956 943 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 957 944 | |
| 958 945 <span class="k">return</span> <span class="i">CityBlockDistanceCoefficient</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 959 946 <span class="s">}</span> | |
| 960 947 | |
| 961 948 <span class="c"># Calculate CityBlock distance coefficient between two fingerprint vectors.</span> | |
| 962 949 <span class="c">#</span> | |
| 963 950 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 964 951 <span class="c">#</span> | |
| 965 <a name="CityBlockDistanceCoefficient-"></a> 952 <span class="k">sub </span><span class="m">CityBlockDistanceCoefficient ($$;$$)</span> <span class="s">{</span> | |
| 966 953 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 967 954 | |
| 968 955 <span class="i">$CalculationMode</span> = <span class="k">defined</span> <span class="i">$CalculationMode</span> ? <span class="i">$CalculationMode</span> <span class="co">:</span> <span class="q">'AlgebraicForm'</span><span class="sc">;</span> | |
| 969 956 <span class="i">$SkipValuesCheck</span> = <span class="k">defined</span> <span class="i">$SkipValuesCheck</span> ? <span class="i">$SkipValuesCheck</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 970 957 | |
| 971 958 <span class="c"># Validate and process fingerprints vectors for similarity calculations...</span> | |
| 972 959 <span class="c">#</span> | |
| 973 960 <span class="i">_ValidateAndProcessFingerprintsVectorsForSimilarityCalculation</span><span class="s">(</span><span class="q">"CityBlockDistanceCoefficient: Calculation failed"</span><span class="cm">,</span> <span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 974 961 | |
| 975 962 <span class="c"># Perform the calculation...</span> | |
| 976 963 <span class="k">if</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^AlgebraicForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 977 964 <span class="k">return</span> <span class="i">_CityBlockDistanceCoefficientUsingAlgebraicForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 978 965 <span class="s">}</span> | |
| 979 966 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^BinaryForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 980 967 <span class="k">return</span> <span class="i">_CityBlockDistanceCoefficientUsingBinaryForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 981 968 <span class="s">}</span> | |
| 982 969 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^SetTheoreticForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 983 970 <span class="k">return</span> <span class="i">_CityBlockDistanceCoefficientUsingSetTheoreticForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 984 971 <span class="s">}</span> | |
| 985 972 <span class="k">else</span> <span class="s">{</span> | |
| 986 973 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> | |
| 987 974 <span class="s">}</span> | |
| 988 975 <span class="s">}</span> | |
| 989 976 | |
| 990 977 <span class="c"># Calculate CityBlock distance coefficient using algebraic form...</span> | |
| 991 978 <span class="c">#</span> | |
| 992 <a name="_CityBlockDistanceCoefficientUsingAlgebraicForm-"></a> 979 <span class="k">sub </span><span class="m">_CityBlockDistanceCoefficientUsingAlgebraicForm</span> <span class="s">{</span> | |
| 993 980 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 994 981 <span class="k">my</span><span class="s">(</span><span class="i">$SumAbsSubtractionXaiXbi</span><span class="s">)</span><span class="sc">;</span> | |
| 995 982 | |
| 996 983 <span class="i">$SumAbsSubtractionXaiXbi</span> = <span class="i">_GetSumOfAbsoluteValueOfSubtractionOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 997 984 | |
| 998 985 <span class="k">return</span> <span class="i">$SumAbsSubtractionXaiXbi</span><span class="sc">;</span> | |
| 999 986 <span class="s">}</span> | |
| 1000 987 | |
| 1001 988 <span class="c"># Calculate CityBlock distance coefficient using binary form...</span> | |
| 1002 989 <span class="c">#</span> | |
| 1003 <a name="_CityBlockDistanceCoefficientUsingBinaryForm-"></a> 990 <span class="k">sub </span><span class="m">_CityBlockDistanceCoefficientUsingBinaryForm</span> <span class="s">{</span> | |
| 1004 991 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1005 992 <span class="k">my</span><span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="s">)</span><span class="sc">;</span> | |
| 1006 993 | |
| 1007 994 <span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="s">)</span> = <span class="i">_GetNumOfIndividualAndCommonSetBits</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1008 995 | |
| 1009 996 <span class="k">return</span> <span class="s">(</span><span class="i">$Na</span> + <span class="i">$Nb</span> - <span class="n">2</span> * <span class="i">$Nc</span><span class="s">)</span><span class="sc">;</span> | |
| 1010 997 <span class="s">}</span> | |
| 1011 998 | |
| 1012 999 <span class="c"># Calculate CityBlock distance coefficient using set theoretic form...</span> | |
| 1013 1000 <span class="c">#</span> | |
| 1014 <a name="_CityBlockDistanceCoefficientUsingSetTheoreticForm-"></a>1001 <span class="k">sub </span><span class="m">_CityBlockDistanceCoefficientUsingSetTheoreticForm</span> <span class="s">{</span> | |
| 1015 1002 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1016 1003 <span class="k">my</span><span class="s">(</span><span class="i">$SumMinXaiXbi</span><span class="cm">,</span> <span class="i">$SumXai</span><span class="cm">,</span> <span class="i">$SumXbi</span><span class="s">)</span><span class="sc">;</span> | |
| 1017 1004 | |
| 1018 1005 <span class="i">$SumXai</span> = <span class="i">_GetSumOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="s">)</span><span class="sc">;</span> | |
| 1019 1006 <span class="i">$SumXbi</span> = <span class="i">_GetSumOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1020 1007 <span class="i">$SumMinXaiXbi</span> = <span class="i">_GetSumOfMinimumOfFingerprintsOrderdedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1021 1008 | |
| 1022 1009 <span class="k">return</span> <span class="s">(</span><span class="i">$SumXai</span> + <span class="i">$SumXbi</span> - <span class="n">2</span> * <span class="i">$SumMinXaiXbi</span><span class="s">)</span><span class="sc">;</span> | |
| 1023 1010 <span class="s">}</span> | |
| 1024 1011 | |
| 1025 1012 <span class="c"># Calculate Ochiai similarity cofficient between two fingerprint vectors.</span> | |
| 1026 1013 <span class="c">#</span> | |
| 1027 1014 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 1028 1015 <span class="c">#</span> | |
| 1029 <a name="OchiaiSimilarityCoefficient-"></a>1016 <span class="k">sub </span><span class="m">OchiaiSimilarityCoefficient ($$;$$)</span> <span class="s">{</span> | |
| 1030 1017 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1031 1018 | |
| 1032 1019 <span class="k">return</span> <span class="i">CosineSimilarityCoefficient</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 1033 1020 <span class="s">}</span> | |
| 1034 1021 | |
| 1035 1022 <span class="c"># Calculate Cosine similarity cofficient between two fingerprint vectors.</span> | |
| 1036 1023 <span class="c">#</span> | |
| 1037 1024 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 1038 1025 <span class="c">#</span> | |
| 1039 <a name="CosineSimilarityCoefficient-"></a>1026 <span class="k">sub </span><span class="m">CosineSimilarityCoefficient ($$;$$)</span> <span class="s">{</span> | |
| 1040 1027 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1041 1028 | |
| 1042 1029 <span class="i">$CalculationMode</span> = <span class="k">defined</span> <span class="i">$CalculationMode</span> ? <span class="i">$CalculationMode</span> <span class="co">:</span> <span class="q">'AlgebraicForm'</span><span class="sc">;</span> | |
| 1043 1030 <span class="i">$SkipValuesCheck</span> = <span class="k">defined</span> <span class="i">$SkipValuesCheck</span> ? <span class="i">$SkipValuesCheck</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1044 1031 | |
| 1045 1032 <span class="c"># Validate and process fingerprints vectors for similarity calculations...</span> | |
| 1046 1033 <span class="c">#</span> | |
| 1047 1034 <span class="i">_ValidateAndProcessFingerprintsVectorsForSimilarityCalculation</span><span class="s">(</span><span class="q">"CosineSimilarityCoefficient: Calculation failed"</span><span class="cm">,</span> <span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 1048 1035 | |
| 1049 1036 <span class="c"># Perform the calculation...</span> | |
| 1050 1037 <span class="k">if</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^AlgebraicForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1051 1038 <span class="k">return</span> <span class="i">_CosineSimilarityCoefficientUsingAlgebraicForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1052 1039 <span class="s">}</span> | |
| 1053 1040 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^BinaryForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1054 1041 <span class="k">return</span> <span class="i">_CosineSimilarityCoefficientUsingBinaryForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1055 1042 <span class="s">}</span> | |
| 1056 1043 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^SetTheoreticForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1057 1044 <span class="k">return</span> <span class="i">_CosineSimilarityCoefficientUsingSetTheoreticForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1058 1045 <span class="s">}</span> | |
| 1059 1046 <span class="k">else</span> <span class="s">{</span> | |
| 1060 1047 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> | |
| 1061 1048 <span class="s">}</span> | |
| 1062 1049 <span class="s">}</span> | |
| 1063 1050 | |
| 1064 1051 <span class="c"># Calculate Cosine similarity coefficient using algebraic form...</span> | |
| 1065 1052 <span class="c">#</span> | |
| 1066 <a name="_CosineSimilarityCoefficientUsingAlgebraicForm-"></a>1053 <span class="k">sub </span><span class="m">_CosineSimilarityCoefficientUsingAlgebraicForm</span> <span class="s">{</span> | |
| 1067 1054 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1068 1055 <span class="k">my</span><span class="s">(</span><span class="i">$SumProductXaiXbi</span><span class="cm">,</span> <span class="i">$SumXai2</span><span class="cm">,</span> <span class="i">$SumXbi2</span><span class="cm">,</span> <span class="i">$Numerator</span><span class="cm">,</span> <span class="i">$Denominator</span><span class="s">)</span><span class="sc">;</span> | |
| 1069 1056 | |
| 1070 1057 <span class="i">$SumXai2</span> = <span class="i">_GetSumOfSquaresOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="s">)</span><span class="sc">;</span> | |
| 1071 1058 <span class="i">$SumXbi2</span> = <span class="i">_GetSumOfSquaresOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1072 1059 <span class="i">$SumProductXaiXbi</span> = <span class="i">_GetSumOfProductOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1073 1060 | |
| 1074 1061 <span class="i">$Numerator</span> = <span class="i">$SumProductXaiXbi</span><span class="sc">;</span> | |
| 1075 1062 <span class="i">$Denominator</span> = <span class="k">sqrt</span><span class="s">(</span><span class="i">$SumXai2</span> * <span class="i">$SumXbi2</span><span class="s">)</span><span class="sc">;</span> | |
| 1076 1063 | |
| 1077 1064 <span class="k">return</span> <span class="i">$Denominator</span> ? <span class="s">(</span><span class="i">$Numerator</span>/<span class="i">$Denominator</span><span class="s">)</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1078 1065 <span class="s">}</span> | |
| 1079 1066 | |
| 1080 1067 <span class="c"># CalculateCosine similarity coefficient using binary form...</span> | |
| 1081 1068 <span class="c">#</span> | |
| 1082 <a name="_CosineSimilarityCoefficientUsingBinaryForm-"></a>1069 <span class="k">sub </span><span class="m">_CosineSimilarityCoefficientUsingBinaryForm</span> <span class="s">{</span> | |
| 1083 1070 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1084 1071 <span class="k">my</span><span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="cm">,</span> <span class="i">$Numerator</span><span class="cm">,</span> <span class="i">$Denominator</span><span class="s">)</span><span class="sc">;</span> | |
| 1085 1072 | |
| 1086 1073 <span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="s">)</span> = <span class="i">_GetNumOfIndividualAndCommonSetBits</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1087 1074 | |
| 1088 1075 <span class="i">$Numerator</span> = <span class="i">$Nc</span><span class="sc">;</span> | |
| 1089 1076 <span class="i">$Denominator</span> = <span class="k">sqrt</span><span class="s">(</span><span class="i">$Na</span> * <span class="i">$Nb</span><span class="s">)</span><span class="sc">;</span> | |
| 1090 1077 | |
| 1091 1078 <span class="k">return</span> <span class="i">$Denominator</span> ? <span class="s">(</span><span class="i">$Numerator</span>/<span class="i">$Denominator</span><span class="s">)</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1092 1079 <span class="s">}</span> | |
| 1093 1080 | |
| 1094 1081 <span class="c"># Calculate Cosine similarity coefficient using set theoretic form...</span> | |
| 1095 1082 <span class="c">#</span> | |
| 1096 <a name="_CosineSimilarityCoefficientUsingSetTheoreticForm-"></a>1083 <span class="k">sub </span><span class="m">_CosineSimilarityCoefficientUsingSetTheoreticForm</span> <span class="s">{</span> | |
| 1097 1084 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1098 1085 <span class="k">my</span><span class="s">(</span><span class="i">$SumMinXaiXbi</span><span class="cm">,</span> <span class="i">$SumXai</span><span class="cm">,</span> <span class="i">$SumXbi</span><span class="cm">,</span> <span class="i">$Numerator</span><span class="cm">,</span> <span class="i">$Denominator</span><span class="s">)</span><span class="sc">;</span> | |
| 1099 1086 | |
| 1100 1087 <span class="i">$SumXai</span> = <span class="i">_GetSumOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="s">)</span><span class="sc">;</span> | |
| 1101 1088 <span class="i">$SumXbi</span> = <span class="i">_GetSumOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1102 1089 <span class="i">$SumMinXaiXbi</span> = <span class="i">_GetSumOfMinimumOfFingerprintsOrderdedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1103 1090 | |
| 1104 1091 <span class="i">$Numerator</span> = <span class="i">$SumMinXaiXbi</span><span class="sc">;</span> | |
| 1105 1092 <span class="i">$Denominator</span> = <span class="k">sqrt</span><span class="s">(</span><span class="i">$SumXai</span> * <span class="i">$SumXbi</span><span class="s">)</span><span class="sc">;</span> | |
| 1106 1093 | |
| 1107 1094 <span class="k">return</span> <span class="i">$Denominator</span> ? <span class="s">(</span><span class="i">$Numerator</span>/<span class="i">$Denominator</span><span class="s">)</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1108 1095 <span class="s">}</span> | |
| 1109 1096 | |
| 1110 1097 <span class="c"># Calculate Czekanowski similarity cofficient between two fingerprint vectors.</span> | |
| 1111 1098 <span class="c">#</span> | |
| 1112 1099 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 1113 1100 <span class="c">#</span> | |
| 1114 <a name="CzekanowskiSimilarityCoefficient-"></a>1101 <span class="k">sub </span><span class="m">CzekanowskiSimilarityCoefficient ($$;$$)</span> <span class="s">{</span> | |
| 1115 1102 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1116 1103 | |
| 1117 1104 <span class="k">return</span> <span class="i">DiceSimilarityCoefficient</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 1118 1105 <span class="s">}</span> | |
| 1119 1106 | |
| 1120 1107 <span class="c"># Calculate Sorenson similarity cofficient between two fingerprint vectors.</span> | |
| 1121 1108 <span class="c">#</span> | |
| 1122 1109 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 1123 1110 <span class="c">#</span> | |
| 1124 <a name="SorensonSimilarityCoefficient-"></a>1111 <span class="k">sub </span><span class="m">SorensonSimilarityCoefficient ($$;$$)</span> <span class="s">{</span> | |
| 1125 1112 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1126 1113 | |
| 1127 1114 <span class="k">return</span> <span class="i">DiceSimilarityCoefficient</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 1128 1115 <span class="s">}</span> | |
| 1129 1116 | |
| 1130 1117 <span class="c"># Calculate Dice similarity cofficient between two fingerprint vectors.</span> | |
| 1131 1118 <span class="c">#</span> | |
| 1132 1119 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 1133 1120 <span class="c">#</span> | |
| 1134 <a name="DiceSimilarityCoefficient-"></a>1121 <span class="k">sub </span><span class="m">DiceSimilarityCoefficient ($$;$$)</span> <span class="s">{</span> | |
| 1135 1122 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1136 1123 | |
| 1137 1124 <span class="i">$CalculationMode</span> = <span class="k">defined</span> <span class="i">$CalculationMode</span> ? <span class="i">$CalculationMode</span> <span class="co">:</span> <span class="q">'AlgebraicForm'</span><span class="sc">;</span> | |
| 1138 1125 <span class="i">$SkipValuesCheck</span> = <span class="k">defined</span> <span class="i">$SkipValuesCheck</span> ? <span class="i">$SkipValuesCheck</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1139 1126 | |
| 1140 1127 <span class="c"># Validate and process fingerprints vectors for similarity calculations...</span> | |
| 1141 1128 <span class="c">#</span> | |
| 1142 1129 <span class="i">_ValidateAndProcessFingerprintsVectorsForSimilarityCalculation</span><span class="s">(</span><span class="q">"DiceSimilarityCoefficient: Calculation failed"</span><span class="cm">,</span> <span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 1143 1130 | |
| 1144 1131 <span class="c"># Perform the calculation...</span> | |
| 1145 1132 <span class="k">if</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^AlgebraicForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1146 1133 <span class="k">return</span> <span class="i">_DiceSimilarityCoefficientUsingAlgebraicForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1147 1134 <span class="s">}</span> | |
| 1148 1135 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^BinaryForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1149 1136 <span class="k">return</span> <span class="i">_DiceSimilarityCoefficientUsingBinaryForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1150 1137 <span class="s">}</span> | |
| 1151 1138 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^SetTheoreticForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1152 1139 <span class="k">return</span> <span class="i">_DiceSimilarityCoefficientUsingSetTheoreticForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1153 1140 <span class="s">}</span> | |
| 1154 1141 <span class="k">else</span> <span class="s">{</span> | |
| 1155 1142 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> | |
| 1156 1143 <span class="s">}</span> | |
| 1157 1144 <span class="s">}</span> | |
| 1158 1145 | |
| 1159 1146 <span class="c"># Calculate Dice similarity coefficient using algebraic form...</span> | |
| 1160 1147 <span class="c">#</span> | |
| 1161 <a name="_DiceSimilarityCoefficientUsingAlgebraicForm-"></a>1148 <span class="k">sub </span><span class="m">_DiceSimilarityCoefficientUsingAlgebraicForm</span> <span class="s">{</span> | |
| 1162 1149 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1163 1150 <span class="k">my</span><span class="s">(</span><span class="i">$SumProductXaiXbi</span><span class="cm">,</span> <span class="i">$SumXai2</span><span class="cm">,</span> <span class="i">$SumXbi2</span><span class="cm">,</span> <span class="i">$Numerator</span><span class="cm">,</span> <span class="i">$Denominator</span><span class="s">)</span><span class="sc">;</span> | |
| 1164 1151 | |
| 1165 1152 <span class="i">$SumXai2</span> = <span class="i">_GetSumOfSquaresOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="s">)</span><span class="sc">;</span> | |
| 1166 1153 <span class="i">$SumXbi2</span> = <span class="i">_GetSumOfSquaresOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1167 1154 <span class="i">$SumProductXaiXbi</span> = <span class="i">_GetSumOfProductOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1168 1155 | |
| 1169 1156 <span class="i">$Numerator</span> = <span class="n">2</span> * <span class="i">$SumProductXaiXbi</span><span class="sc">;</span> | |
| 1170 1157 <span class="i">$Denominator</span> = <span class="i">$SumXai2</span> + <span class="i">$SumXbi2</span><span class="sc">;</span> | |
| 1171 1158 | |
| 1172 1159 <span class="k">return</span> <span class="i">$Denominator</span> ? <span class="s">(</span><span class="i">$Numerator</span>/<span class="i">$Denominator</span><span class="s">)</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1173 1160 <span class="s">}</span> | |
| 1174 1161 | |
| 1175 1162 <span class="c"># Calculate Dice similarity coefficient using binary form...</span> | |
| 1176 1163 <span class="c">#</span> | |
| 1177 <a name="_DiceSimilarityCoefficientUsingBinaryForm-"></a>1164 <span class="k">sub </span><span class="m">_DiceSimilarityCoefficientUsingBinaryForm</span> <span class="s">{</span> | |
| 1178 1165 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1179 1166 <span class="k">my</span><span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="cm">,</span> <span class="i">$Numerator</span><span class="cm">,</span> <span class="i">$Denominator</span><span class="s">)</span><span class="sc">;</span> | |
| 1180 1167 | |
| 1181 1168 <span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="s">)</span> = <span class="i">_GetNumOfIndividualAndCommonSetBits</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1182 1169 | |
| 1183 1170 <span class="i">$Numerator</span> = <span class="n">2</span> * <span class="i">$Nc</span><span class="sc">;</span> | |
| 1184 1171 <span class="i">$Denominator</span> = <span class="i">$Na</span> + <span class="i">$Nb</span><span class="sc">;</span> | |
| 1185 1172 | |
| 1186 1173 <span class="k">return</span> <span class="i">$Denominator</span> ? <span class="s">(</span><span class="i">$Numerator</span>/<span class="i">$Denominator</span><span class="s">)</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1187 1174 <span class="s">}</span> | |
| 1188 1175 | |
| 1189 1176 <span class="c"># Calculate Dice similarity coefficient using set theoretic form...</span> | |
| 1190 1177 <span class="c">#</span> | |
| 1191 <a name="_DiceSimilarityCoefficientUsingSetTheoreticForm-"></a>1178 <span class="k">sub </span><span class="m">_DiceSimilarityCoefficientUsingSetTheoreticForm</span> <span class="s">{</span> | |
| 1192 1179 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1193 1180 <span class="k">my</span><span class="s">(</span><span class="i">$SumMinXaiXbi</span><span class="cm">,</span> <span class="i">$SumXai</span><span class="cm">,</span> <span class="i">$SumXbi</span><span class="cm">,</span> <span class="i">$Numerator</span><span class="cm">,</span> <span class="i">$Denominator</span><span class="s">)</span><span class="sc">;</span> | |
| 1194 1181 | |
| 1195 1182 <span class="i">$SumXai</span> = <span class="i">_GetSumOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="s">)</span><span class="sc">;</span> | |
| 1196 1183 <span class="i">$SumXbi</span> = <span class="i">_GetSumOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1197 1184 <span class="i">$SumMinXaiXbi</span> = <span class="i">_GetSumOfMinimumOfFingerprintsOrderdedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1198 1185 | |
| 1199 1186 <span class="i">$Numerator</span> = <span class="n">2</span> * <span class="i">$SumMinXaiXbi</span><span class="sc">;</span> | |
| 1200 1187 <span class="i">$Denominator</span> = <span class="i">$SumXai</span> + <span class="i">$SumXbi</span><span class="sc">;</span> | |
| 1201 1188 | |
| 1202 1189 <span class="k">return</span> <span class="i">$Denominator</span> ? <span class="s">(</span><span class="i">$Numerator</span>/<span class="i">$Denominator</span><span class="s">)</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1203 1190 <span class="s">}</span> | |
| 1204 1191 | |
| 1205 1192 | |
| 1206 1193 <span class="c"># Calculate Euclidean distance coefficient between two fingerprint vectors.</span> | |
| 1207 1194 <span class="c">#</span> | |
| 1208 1195 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 1209 1196 <span class="c">#</span> | |
| 1210 <a name="EuclideanDistanceCoefficient-"></a>1197 <span class="k">sub </span><span class="m">EuclideanDistanceCoefficient ($$;$$)</span> <span class="s">{</span> | |
| 1211 1198 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1212 1199 | |
| 1213 1200 <span class="i">$CalculationMode</span> = <span class="k">defined</span> <span class="i">$CalculationMode</span> ? <span class="i">$CalculationMode</span> <span class="co">:</span> <span class="q">'AlgebraicForm'</span><span class="sc">;</span> | |
| 1214 1201 <span class="i">$SkipValuesCheck</span> = <span class="k">defined</span> <span class="i">$SkipValuesCheck</span> ? <span class="i">$SkipValuesCheck</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1215 1202 | |
| 1216 1203 <span class="c"># Validate and process fingerprints vectors for similarity calculations...</span> | |
| 1217 1204 <span class="c">#</span> | |
| 1218 1205 <span class="i">_ValidateAndProcessFingerprintsVectorsForSimilarityCalculation</span><span class="s">(</span><span class="q">"EuclideanDistanceCoefficient: Calculation failed"</span><span class="cm">,</span> <span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 1219 1206 | |
| 1220 1207 <span class="c"># Perform the calculation...</span> | |
| 1221 1208 <span class="k">if</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^AlgebraicForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1222 1209 <span class="k">return</span> <span class="i">_EuclideanDistanceCoefficientUsingAlgebraicForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1223 1210 <span class="s">}</span> | |
| 1224 1211 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^BinaryForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1225 1212 <span class="k">return</span> <span class="i">_EuclideanDistanceCoefficientUsingBinaryForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1226 1213 <span class="s">}</span> | |
| 1227 1214 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^SetTheoreticForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1228 1215 <span class="k">return</span> <span class="i">_EuclideanDistanceCoefficientUsingSetTheoreticForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1229 1216 <span class="s">}</span> | |
| 1230 1217 <span class="k">else</span> <span class="s">{</span> | |
| 1231 1218 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> | |
| 1232 1219 <span class="s">}</span> | |
| 1233 1220 <span class="s">}</span> | |
| 1234 1221 | |
| 1235 1222 <span class="c"># Calculate Euclidean distance coefficient using algebraic form...</span> | |
| 1236 1223 <span class="c">#</span> | |
| 1237 <a name="_EuclideanDistanceCoefficientUsingAlgebraicForm-"></a>1224 <span class="k">sub </span><span class="m">_EuclideanDistanceCoefficientUsingAlgebraicForm</span> <span class="s">{</span> | |
| 1238 1225 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1239 1226 <span class="k">my</span><span class="s">(</span><span class="i">$SumSquaresSubtractionXaiXbi</span><span class="s">)</span><span class="sc">;</span> | |
| 1240 1227 | |
| 1241 1228 <span class="i">$SumSquaresSubtractionXaiXbi</span> = <span class="i">_GetSumOfSquaresOfSubtractionOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1242 1229 | |
| 1243 1230 <span class="k">return</span> <span class="k">sqrt</span><span class="s">(</span><span class="i">$SumSquaresSubtractionXaiXbi</span><span class="s">)</span><span class="sc">;</span> | |
| 1244 1231 <span class="s">}</span> | |
| 1245 1232 | |
| 1246 1233 <span class="c"># Calculate Euclidean distance coefficient using binary form...</span> | |
| 1247 1234 <span class="c">#</span> | |
| 1248 <a name="_EuclideanDistanceCoefficientUsingBinaryForm-"></a>1235 <span class="k">sub </span><span class="m">_EuclideanDistanceCoefficientUsingBinaryForm</span> <span class="s">{</span> | |
| 1249 1236 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1250 1237 <span class="k">my</span><span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="s">)</span><span class="sc">;</span> | |
| 1251 1238 | |
| 1252 1239 <span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="s">)</span> = <span class="i">_GetNumOfIndividualAndCommonSetBits</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1253 1240 | |
| 1254 1241 <span class="k">return</span> <span class="s">(</span><span class="k">sqrt</span><span class="s">(</span><span class="i">$Na</span> + <span class="i">$Nb</span> - <span class="n">2</span> * <span class="i">$Nc</span><span class="s">)</span><span class="s">)</span><span class="sc">;</span> | |
| 1255 1242 <span class="s">}</span> | |
| 1256 1243 | |
| 1257 1244 <span class="c"># Calculate Euclidean distance coefficient using set theoretic form...</span> | |
| 1258 1245 <span class="c">#</span> | |
| 1259 <a name="_EuclideanDistanceCoefficientUsingSetTheoreticForm-"></a>1246 <span class="k">sub </span><span class="m">_EuclideanDistanceCoefficientUsingSetTheoreticForm</span> <span class="s">{</span> | |
| 1260 1247 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1261 1248 <span class="k">my</span><span class="s">(</span><span class="i">$SumMinXaiXbi</span><span class="cm">,</span> <span class="i">$SumXai</span><span class="cm">,</span> <span class="i">$SumXbi</span><span class="s">)</span><span class="sc">;</span> | |
| 1262 1249 | |
| 1263 1250 <span class="i">$SumXai</span> = <span class="i">_GetSumOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="s">)</span><span class="sc">;</span> | |
| 1264 1251 <span class="i">$SumXbi</span> = <span class="i">_GetSumOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1265 1252 <span class="i">$SumMinXaiXbi</span> = <span class="i">_GetSumOfMinimumOfFingerprintsOrderdedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1266 1253 | |
| 1267 1254 <span class="k">return</span> <span class="s">(</span><span class="k">sqrt</span><span class="s">(</span><span class="i">$SumXai</span> + <span class="i">$SumXbi</span> - <span class="n">2</span> * <span class="i">$SumMinXaiXbi</span><span class="s">)</span><span class="s">)</span><span class="sc">;</span> | |
| 1268 1255 <span class="s">}</span> | |
| 1269 1256 | |
| 1270 1257 <span class="c"># Calculate Jaccard similarity cofficient between two fingerprint vectors.</span> | |
| 1271 1258 <span class="c">#</span> | |
| 1272 1259 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 1273 1260 <span class="c">#</span> | |
| 1274 <a name="JaccardSimilarityCoefficient-"></a>1261 <span class="k">sub </span><span class="m">JaccardSimilarityCoefficient ($$;$$)</span> <span class="s">{</span> | |
| 1275 1262 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1276 1263 | |
| 1277 1264 <span class="k">return</span> <span class="i">TanimotoSimilarityCoefficient</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 1278 1265 <span class="s">}</span> | |
| 1279 1266 | |
| 1280 1267 <span class="c"># Calculate Tanimoto similarity cofficient between two fingerprint vectors.</span> | |
| 1281 1268 <span class="c">#</span> | |
| 1282 1269 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 1283 1270 <span class="c">#</span> | |
| 1284 <a name="TanimotoSimilarityCoefficient-"></a>1271 <span class="k">sub </span><span class="m">TanimotoSimilarityCoefficient ($$;$$)</span> <span class="s">{</span> | |
| 1285 1272 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1286 1273 | |
| 1287 1274 <span class="i">$CalculationMode</span> = <span class="k">defined</span> <span class="i">$CalculationMode</span> ? <span class="i">$CalculationMode</span> <span class="co">:</span> <span class="q">'AlgebraicForm'</span><span class="sc">;</span> | |
| 1288 1275 <span class="i">$SkipValuesCheck</span> = <span class="k">defined</span> <span class="i">$SkipValuesCheck</span> ? <span class="i">$SkipValuesCheck</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1289 1276 | |
| 1290 1277 <span class="c"># Validate and process fingerprints vectors for similarity calculations...</span> | |
| 1291 1278 <span class="c">#</span> | |
| 1292 1279 <span class="i">_ValidateAndProcessFingerprintsVectorsForSimilarityCalculation</span><span class="s">(</span><span class="q">"TanimotoSimilarityCoefficient: Calculation failed"</span><span class="cm">,</span> <span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 1293 1280 | |
| 1294 1281 <span class="c"># Perform the calculation...</span> | |
| 1295 1282 <span class="k">if</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^AlgebraicForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1296 1283 <span class="k">return</span> <span class="i">_TanimotoSimilarityCoefficientUsingAlgebraicForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1297 1284 <span class="s">}</span> | |
| 1298 1285 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^BinaryForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1299 1286 <span class="k">return</span> <span class="i">_TanimotoSimilarityCoefficientUsingBinaryForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1300 1287 <span class="s">}</span> | |
| 1301 1288 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^SetTheoreticForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1302 1289 <span class="k">return</span> <span class="i">_TanimotoSimilarityCoefficientUsingSetTheoreticForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1303 1290 <span class="s">}</span> | |
| 1304 1291 <span class="k">else</span> <span class="s">{</span> | |
| 1305 1292 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> | |
| 1306 1293 <span class="s">}</span> | |
| 1307 1294 <span class="s">}</span> | |
| 1308 1295 | |
| 1309 1296 <span class="c"># Calculate Tanimoto similarity coefficient using algebraic form...</span> | |
| 1310 1297 <span class="c">#</span> | |
| 1311 <a name="_TanimotoSimilarityCoefficientUsingAlgebraicForm-"></a>1298 <span class="k">sub </span><span class="m">_TanimotoSimilarityCoefficientUsingAlgebraicForm</span> <span class="s">{</span> | |
| 1312 1299 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1313 1300 <span class="k">my</span><span class="s">(</span><span class="i">$SumProductXaiXbi</span><span class="cm">,</span> <span class="i">$SumXai2</span><span class="cm">,</span> <span class="i">$SumXbi2</span><span class="cm">,</span> <span class="i">$Numerator</span><span class="cm">,</span> <span class="i">$Denominator</span><span class="s">)</span><span class="sc">;</span> | |
| 1314 1301 | |
| 1315 1302 <span class="i">$SumXai2</span> = <span class="i">_GetSumOfSquaresOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="s">)</span><span class="sc">;</span> | |
| 1316 1303 <span class="i">$SumXbi2</span> = <span class="i">_GetSumOfSquaresOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1317 1304 <span class="i">$SumProductXaiXbi</span> = <span class="i">_GetSumOfProductOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1318 1305 | |
| 1319 1306 <span class="i">$Numerator</span> = <span class="i">$SumProductXaiXbi</span><span class="sc">;</span> | |
| 1320 1307 <span class="i">$Denominator</span> = <span class="i">$SumXai2</span> + <span class="i">$SumXbi2</span> - <span class="i">$SumProductXaiXbi</span><span class="sc">;</span> | |
| 1321 1308 | |
| 1322 1309 <span class="k">return</span> <span class="i">$Denominator</span> ? <span class="s">(</span><span class="i">$Numerator</span>/<span class="i">$Denominator</span><span class="s">)</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1323 1310 <span class="s">}</span> | |
| 1324 1311 | |
| 1325 1312 <span class="c"># Calculate Tanimoto similarity coefficient using binary form...</span> | |
| 1326 1313 <span class="c">#</span> | |
| 1327 <a name="_TanimotoSimilarityCoefficientUsingBinaryForm-"></a>1314 <span class="k">sub </span><span class="m">_TanimotoSimilarityCoefficientUsingBinaryForm</span> <span class="s">{</span> | |
| 1328 1315 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1329 1316 <span class="k">my</span><span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="cm">,</span> <span class="i">$Numerator</span><span class="cm">,</span> <span class="i">$Denominator</span><span class="s">)</span><span class="sc">;</span> | |
| 1330 1317 | |
| 1331 1318 <span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="s">)</span> = <span class="i">_GetNumOfIndividualAndCommonSetBits</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1332 1319 | |
| 1333 1320 <span class="i">$Numerator</span> = <span class="i">$Nc</span><span class="sc">;</span> | |
| 1334 1321 <span class="i">$Denominator</span> = <span class="i">$Na</span> + <span class="i">$Nb</span> - <span class="i">$Nc</span><span class="sc">;</span> | |
| 1335 1322 | |
| 1336 1323 <span class="k">return</span> <span class="i">$Denominator</span> ? <span class="s">(</span><span class="i">$Numerator</span>/<span class="i">$Denominator</span><span class="s">)</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1337 1324 <span class="s">}</span> | |
| 1338 1325 | |
| 1339 1326 <span class="c"># Calculate Tanimoto similarity coefficient using set theoretic form...</span> | |
| 1340 1327 <span class="c">#</span> | |
| 1341 <a name="_TanimotoSimilarityCoefficientUsingSetTheoreticForm-"></a>1328 <span class="k">sub </span><span class="m">_TanimotoSimilarityCoefficientUsingSetTheoreticForm</span> <span class="s">{</span> | |
| 1342 1329 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1343 1330 <span class="k">my</span><span class="s">(</span><span class="i">$SumMinXaiXbi</span><span class="cm">,</span> <span class="i">$SumXai</span><span class="cm">,</span> <span class="i">$SumXbi</span><span class="cm">,</span> <span class="i">$Numerator</span><span class="cm">,</span> <span class="i">$Denominator</span><span class="s">)</span><span class="sc">;</span> | |
| 1344 1331 | |
| 1345 1332 <span class="i">$SumXai</span> = <span class="i">_GetSumOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="s">)</span><span class="sc">;</span> | |
| 1346 1333 <span class="i">$SumXbi</span> = <span class="i">_GetSumOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1347 1334 <span class="i">$SumMinXaiXbi</span> = <span class="i">_GetSumOfMinimumOfFingerprintsOrderdedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1348 1335 | |
| 1349 1336 <span class="i">$Numerator</span> = <span class="i">$SumMinXaiXbi</span><span class="sc">;</span> | |
| 1350 1337 <span class="i">$Denominator</span> = <span class="i">$SumXai</span> + <span class="i">$SumXbi</span> - <span class="i">$SumMinXaiXbi</span><span class="sc">;</span> | |
| 1351 1338 | |
| 1352 1339 <span class="k">return</span> <span class="i">$Denominator</span> ? <span class="s">(</span><span class="i">$Numerator</span>/<span class="i">$Denominator</span><span class="s">)</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1353 1340 <span class="s">}</span> | |
| 1354 1341 | |
| 1355 1342 | |
| 1356 1343 <span class="c"># Calculate Soergel distance coefficient between two fingerprint vectors.</span> | |
| 1357 1344 <span class="c">#</span> | |
| 1358 1345 <span class="c"># This functionality can be either invoked as a class function or an object method.</span> | |
| 1359 1346 <span class="c">#</span> | |
| 1360 <a name="SoergelDistanceCoefficient-"></a>1347 <span class="k">sub </span><span class="m">SoergelDistanceCoefficient ($$;$$)</span> <span class="s">{</span> | |
| 1361 1348 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1362 1349 | |
| 1363 1350 <span class="i">$CalculationMode</span> = <span class="k">defined</span> <span class="i">$CalculationMode</span> ? <span class="i">$CalculationMode</span> <span class="co">:</span> <span class="q">'AlgebraicForm'</span><span class="sc">;</span> | |
| 1364 1351 <span class="i">$SkipValuesCheck</span> = <span class="k">defined</span> <span class="i">$SkipValuesCheck</span> ? <span class="i">$SkipValuesCheck</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1365 1352 | |
| 1366 1353 <span class="c"># Validate and process fingerprints vectors for similarity calculations...</span> | |
| 1367 1354 <span class="c">#</span> | |
| 1368 1355 <span class="i">_ValidateAndProcessFingerprintsVectorsForSimilarityCalculation</span><span class="s">(</span><span class="q">"SoergelDistanceCoefficient: Calculation failed"</span><span class="cm">,</span> <span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 1369 1356 | |
| 1370 1357 <span class="c"># Perform the calculation...</span> | |
| 1371 1358 <span class="k">if</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^AlgebraicForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1372 1359 <span class="k">return</span> <span class="i">_SoergelDistanceCoefficientUsingAlgebraicForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1373 1360 <span class="s">}</span> | |
| 1374 1361 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^BinaryForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1375 1362 <span class="k">return</span> <span class="i">_SoergelDistanceCoefficientUsingBinaryForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1376 1363 <span class="s">}</span> | |
| 1377 1364 <span class="k">elsif</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^SetTheoreticForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1378 1365 <span class="k">return</span> <span class="i">_SoergelDistanceCoefficientUsingSetTheoreticForm</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1379 1366 <span class="s">}</span> | |
| 1380 1367 <span class="k">else</span> <span class="s">{</span> | |
| 1381 1368 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> | |
| 1382 1369 <span class="s">}</span> | |
| 1383 1370 <span class="s">}</span> | |
| 1384 1371 | |
| 1385 1372 <span class="c"># Calculate Soergel distance coefficientusing algebraic form...</span> | |
| 1386 1373 <span class="c">#</span> | |
| 1387 <a name="_SoergelDistanceCoefficientUsingAlgebraicForm-"></a>1374 <span class="k">sub </span><span class="m">_SoergelDistanceCoefficientUsingAlgebraicForm</span> <span class="s">{</span> | |
| 1388 1375 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1389 1376 <span class="k">my</span><span class="s">(</span><span class="i">$SumAbsSubtractionXaiXbi</span><span class="cm">,</span> <span class="i">$SumMaxXaiXbi</span><span class="cm">,</span> <span class="i">$Numerator</span><span class="cm">,</span> <span class="i">$Denominator</span><span class="s">)</span><span class="sc">;</span> | |
| 1390 1377 | |
| 1391 1378 <span class="i">$SumAbsSubtractionXaiXbi</span> = <span class="i">_GetSumOfAbsoluteValueOfSubtractionOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1392 1379 <span class="i">$SumMaxXaiXbi</span> = <span class="i">_GetSumOfMaximumOfFingerprintsOrderdedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1393 1380 | |
| 1394 1381 <span class="i">$Numerator</span> = <span class="i">$SumAbsSubtractionXaiXbi</span><span class="sc">;</span> | |
| 1395 1382 <span class="i">$Denominator</span> = <span class="i">$SumMaxXaiXbi</span><span class="sc">;</span> | |
| 1396 1383 | |
| 1397 1384 <span class="k">return</span> <span class="i">$Denominator</span> ? <span class="s">(</span><span class="i">$Numerator</span>/<span class="i">$Denominator</span><span class="s">)</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1398 1385 <span class="s">}</span> | |
| 1399 1386 | |
| 1400 1387 <span class="c"># Calculate Soergel distance coefficient using binary form...</span> | |
| 1401 1388 <span class="c">#</span> | |
| 1402 <a name="_SoergelDistanceCoefficientUsingBinaryForm-"></a>1389 <span class="k">sub </span><span class="m">_SoergelDistanceCoefficientUsingBinaryForm</span> <span class="s">{</span> | |
| 1403 1390 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1404 1391 <span class="k">my</span><span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="cm">,</span> <span class="i">$Numerator</span><span class="cm">,</span> <span class="i">$Denominator</span><span class="s">)</span><span class="sc">;</span> | |
| 1405 1392 | |
| 1406 1393 <span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="s">)</span> = <span class="i">_GetNumOfIndividualAndCommonSetBits</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1407 1394 | |
| 1408 1395 <span class="i">$Numerator</span> = <span class="i">$Na</span> + <span class="i">$Nb</span> - <span class="n">2</span> * <span class="i">$Nc</span><span class="sc">;</span> | |
| 1409 1396 <span class="i">$Denominator</span> = <span class="i">$Na</span> + <span class="i">$Nb</span> - <span class="i">$Nc</span><span class="sc">;</span> | |
| 1410 1397 | |
| 1411 1398 <span class="k">return</span> <span class="i">$Denominator</span> ? <span class="s">(</span><span class="i">$Numerator</span>/<span class="i">$Denominator</span><span class="s">)</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1412 1399 <span class="s">}</span> | |
| 1413 1400 | |
| 1414 1401 <span class="c"># Calculate SoergelDistanceCoefficient using set theoretic form...</span> | |
| 1415 1402 <span class="c">#</span> | |
| 1416 <a name="_SoergelDistanceCoefficientUsingSetTheoreticForm-"></a>1403 <span class="k">sub </span><span class="m">_SoergelDistanceCoefficientUsingSetTheoreticForm</span> <span class="s">{</span> | |
| 1417 1404 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1418 1405 <span class="k">my</span><span class="s">(</span><span class="i">$SumMinXaiXbi</span><span class="cm">,</span> <span class="i">$SumXai</span><span class="cm">,</span> <span class="i">$SumXbi</span><span class="cm">,</span> <span class="i">$Numerator</span><span class="cm">,</span> <span class="i">$Denominator</span><span class="s">)</span><span class="sc">;</span> | |
| 1419 1406 | |
| 1420 1407 <span class="i">$SumXai</span> = <span class="i">_GetSumOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="s">)</span><span class="sc">;</span> | |
| 1421 1408 <span class="i">$SumXbi</span> = <span class="i">_GetSumOfFingerprintsOrderedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1422 1409 <span class="i">$SumMinXaiXbi</span> = <span class="i">_GetSumOfMinimumOfFingerprintsOrderdedValues</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1423 1410 | |
| 1424 1411 <span class="i">$Numerator</span> = <span class="i">$SumXai</span> + <span class="i">$SumXbi</span> - <span class="n">2</span> * <span class="i">$SumMinXaiXbi</span><span class="sc">;</span> | |
| 1425 1412 <span class="i">$Denominator</span> = <span class="i">$SumXai</span> + <span class="i">$SumXbi</span> - <span class="i">$SumMinXaiXbi</span><span class="sc">;</span> | |
| 1426 1413 | |
| 1427 1414 <span class="k">return</span> <span class="i">$Denominator</span> ? <span class="s">(</span><span class="i">$Numerator</span>/<span class="i">$Denominator</span><span class="s">)</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1428 1415 <span class="s">}</span> | |
| 1429 1416 | |
| 1430 1417 <span class="c"># Validate and process fingerprints vectors for similarity calculations...</span> | |
| 1431 1418 <span class="c">#</span> | |
| 1432 <a name="_ValidateAndProcessFingerprintsVectorsForSimilarityCalculation-"></a>1419 <span class="k">sub </span><span class="m">_ValidateAndProcessFingerprintsVectorsForSimilarityCalculation</span> <span class="s">{</span> | |
| 1433 1420 <span class="k">my</span><span class="s">(</span><span class="i">$ErrorMsg</span><span class="cm">,</span> <span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="cm">,</span> <span class="i">$SkipValuesCheck</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1434 1421 | |
| 1435 1422 <span class="i">$CalculationMode</span> = <span class="k">defined</span> <span class="i">$CalculationMode</span> ? <span class="i">$CalculationMode</span> <span class="co">:</span> <span class="q">'AlgebraicForm'</span><span class="sc">;</span> | |
| 1436 1423 <span class="i">$SkipValuesCheck</span> = <span class="k">defined</span> <span class="i">$SkipValuesCheck</span> ? <span class="i">$SkipValuesCheck</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
| 1437 1424 | |
| 1438 1425 <span class="k">if</span> <span class="s">(</span>!<span class="i">$SkipValuesCheck</span><span class="s">)</span> <span class="s">{</span> | |
| 1439 1426 <span class="i">_ValidateFingerprintsVectorsForSimilarityCalculation</span><span class="s">(</span><span class="i">$ErrorMsg</span><span class="cm">,</span> <span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="s">)</span><span class="sc">;</span> | |
| 1440 1427 <span class="s">}</span> | |
| 1441 1428 <span class="i">_ProcessFingerprintsVectorsForSimilarityCalculation</span><span class="s">(</span><span class="i">$ErrorMsg</span><span class="cm">,</span> <span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="s">)</span><span class="sc">;</span> | |
| 1442 1429 <span class="s">}</span> | |
| 1443 1430 | |
| 1444 1431 <span class="c"># Make sure fingerprint vectors are good for performing similarity/distance calculation...</span> | |
| 1445 1432 <span class="c">#</span> | |
| 1446 <a name="_ValidateFingerprintsVectorsForSimilarityCalculation-"></a>1433 <span class="k">sub </span><span class="m">_ValidateFingerprintsVectorsForSimilarityCalculation</span> <span class="s">{</span> | |
| 1447 1434 <span class="k">my</span><span class="s">(</span><span class="i">$ErrorMsg</span><span class="cm">,</span> <span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1448 1435 | |
| 1449 1436 <span class="c"># Make sure both are fingerprint vectors..</span> | |
| 1450 1437 <span class="k">if</span> <span class="s">(</span>!<span class="s">(</span><span class="i">IsFingerprintsVector</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="s">)</span> && <span class="i">IsFingerprintsVector</span><span class="s">(</span><span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
| 1451 1438 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->${ErrorMsg}: Both objects must be fingerprint vectors..."</span><span class="sc">;</span> | |
| 1452 1439 <span class="s">}</span> | |
| 1453 1440 | |
| 1454 1441 <span class="c"># Check types...</span> | |
| 1455 1442 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsVectorA</span>->{<span class="w">Type</span>} <span class="k">ne</span> <span class="i">$FingerprintsVectorB</span>->{<span class="w">Type</span>}<span class="s">)</span> <span class="s">{</span> | |
| 1456 1443 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->${ErrorMsg}: Type of first fingerprint vector, $FingerprintsVectorA->{Type}, must be same as type of second fingerprint vector, $FingerprintsVectorB->{Type}..."</span><span class="sc">;</span> | |
| 1457 1444 <span class="s">}</span> | |
| 1458 1445 | |
| 1459 1446 <span class="c"># Check calculation mode...</span> | |
| 1460 1447 <span class="k">if</span> <span class="s">(</span><span class="i">$CalculationMode</span> !~ <span class="q">/^(AlgebraicForm|BinaryForm|SetTheoreticForm)$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1461 1448 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->${ErrorMsg}: Specified similarity calculation mode, $CalculationMode, is not valid. Supported values: AlgebraicForm, BinaryForm, and SetTheoreticForm..."</span><span class="sc">;</span> | |
| 1462 1449 <span class="s">}</span> | |
| 1463 1450 | |
| 1464 1451 <span class="c"># Check values and value IDs...</span> | |
| 1465 1452 <span class="k">my</span><span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$NIDa</span><span class="cm">,</span> <span class="i">$NIDb</span><span class="s">)</span><span class="sc">;</span> | |
| 1466 1453 <span class="i">$Na</span> = <span class="i">$FingerprintsVectorA</span><span class="i">->GetNumOfValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="i">$Nb</span> = <span class="i">$FingerprintsVectorB</span><span class="i">->GetNumOfValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1467 1454 <span class="i">$NIDa</span> = <span class="i">$FingerprintsVectorA</span><span class="i">->GetNumOfValueIDs</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="i">$NIDb</span> = <span class="i">$FingerprintsVectorB</span><span class="i">->GetNumOfValueIDs</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1468 1455 | |
| 1469 1456 <span class="k">if</span> <span class="s">(</span><span class="i">$Na</span> == <span class="n">0</span><span class="s">)</span> <span class="s">{</span> | |
| 1470 1457 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->${ErrorMsg}: Number of values in first fingerprint vector, $Na, must be > 0 for fingerprint vector type $FingerprintsVectorA->{Type} ..."</span><span class="sc">;</span> | |
| 1471 1458 <span class="s">}</span> | |
| 1472 1459 <span class="k">if</span> <span class="s">(</span><span class="i">$Nb</span> == <span class="n">0</span><span class="s">)</span> <span class="s">{</span> | |
| 1473 1460 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->${ErrorMsg}: Number of values in second fingerprint vector, $Nb, must be > 0 for fingerprint vector type $FingerprintsVectorB->{Type} ..."</span><span class="sc">;</span> | |
| 1474 1461 <span class="s">}</span> | |
| 1475 1462 | |
| 1476 1463 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsVectorA</span>->{<span class="w">Type</span>} =~ <span class="q">/^OrderedNumericalValues$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1477 1464 <span class="k">if</span> <span class="s">(</span><span class="i">$Na</span> != <span class="i">$Nb</span><span class="s">)</span> <span class="s">{</span> | |
| 1478 1465 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->${ErrorMsg}: Number of values in first fingerprint vector, $Na, must be equal to number of values, $Nb, in second fingerprint vector for fingerprint vector types $FingerprintsVectorA->{Type} ..."</span><span class="sc">;</span> | |
| 1479 1466 <span class="s">}</span> | |
| 1480 1467 <span class="s">}</span> | |
| 1481 1468 <span class="k">elsif</span> <span class="s">(</span><span class="i">$FingerprintsVectorA</span>->{<span class="w">Type</span>} =~ <span class="q">/^NumericalValues$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1482 1469 <span class="k">if</span> <span class="s">(</span><span class="i">$NIDa</span> == <span class="n">0</span><span class="s">)</span> <span class="s">{</span> | |
| 1483 1470 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->${ErrorMsg}: Number of value IDs in first fingerprint vector, $NIDa, must be > 0 for fingerprint vector type $FingerprintsVectorA->{Type} ..."</span><span class="sc">;</span> | |
| 1484 1471 <span class="s">}</span> | |
| 1485 1472 <span class="k">if</span> <span class="s">(</span><span class="i">$NIDb</span> == <span class="n">0</span><span class="s">)</span> <span class="s">{</span> | |
| 1486 1473 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->${ErrorMsg}: Number of value IDs in first fingerprint vector, $NIDb, must be > 0 for fingerprint vector type $FingerprintsVectorB->{Type} ..."</span><span class="sc">;</span> | |
| 1487 1474 <span class="s">}</span> | |
| 1488 1475 | |
| 1489 1476 <span class="k">if</span> <span class="s">(</span><span class="i">$NIDa</span> != <span class="i">$Na</span><span class="s">)</span> <span class="s">{</span> | |
| 1490 1477 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->${ErrorMsg}: Number of value IDs in first fingerprint vector, $NIDa, must be equal to its number of values, $Na, for fingerprint vector type $FingerprintsVectorA->{Type} ..."</span><span class="sc">;</span> | |
| 1491 1478 <span class="s">}</span> | |
| 1492 1479 <span class="k">if</span> <span class="s">(</span><span class="i">$NIDb</span> != <span class="i">$Nb</span><span class="s">)</span> <span class="s">{</span> | |
| 1493 1480 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->${ErrorMsg}: Number of value IDs in second fingerprint vector, $NIDb, must be equal to its number of values, $Nb, for fingerprint vector type $FingerprintsVectorA->{Type} ..."</span><span class="sc">;</span> | |
| 1494 1481 <span class="s">}</span> | |
| 1495 1482 <span class="s">}</span> | |
| 1496 1483 <span class="k">elsif</span> <span class="s">(</span><span class="i">$FingerprintsVectorA</span>->{<span class="w">Type</span>} =~ <span class="q">/^AlphaNumericalValues$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1497 1484 <span class="k">if</span> <span class="s">(</span><span class="i">$NIDa</span> || <span class="i">$NIDb</span><span class="s">)</span> <span class="s">{</span> | |
| 1498 1485 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->${ErrorMsg}: ValueIDs cann't be specified for fingerprint vector types $FingerprintsVectorA->{Type} ..."</span><span class="sc">;</span> | |
| 1499 1486 <span class="s">}</span> | |
| 1500 1487 <span class="s">}</span> | |
| 1501 1488 <span class="k">else</span> <span class="s">{</span> | |
| 1502 1489 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->${ErrorMsg}: Fingerprint vector types $FingerprintsVectorA->{Type} is not valid..."</span><span class="sc">;</span> | |
| 1503 1490 <span class="s">}</span> | |
| 1504 1491 <span class="s">}</span> | |
| 1505 1492 | |
| 1506 1493 <span class="c"># Process fingerprints vectors for similarity calculation by generating vectors</span> | |
| 1507 1494 <span class="c"># containing ordered list of values...</span> | |
| 1508 1495 <span class="c">#</span> | |
| 1509 <a name="_ProcessFingerprintsVectorsForSimilarityCalculation-"></a>1496 <span class="k">sub </span><span class="m">_ProcessFingerprintsVectorsForSimilarityCalculation</span> <span class="s">{</span> | |
| 1510 1497 <span class="k">my</span><span class="s">(</span><span class="i">$ErrorMsg</span><span class="cm">,</span> <span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="cm">,</span> <span class="i">$CalculationMode</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1511 1498 | |
| 1512 1499 <span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>} = <span class="k">undef</span><span class="sc">;</span> <span class="i">$FingerprintsVectorB</span>->{<span class="w">OrderedValuesRef</span>} = <span class="k">undef</span><span class="sc">;</span> | |
| 1513 1500 <span class="i">$FingerprintsVectorA</span>->{<span class="w">BitVector</span>} = <span class="k">undef</span><span class="sc">;</span> <span class="i">$FingerprintsVectorB</span>->{<span class="w">BitVector</span>} = <span class="k">undef</span><span class="sc">;</span> | |
| 1514 1501 | |
| 1515 1502 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsVectorA</span>->{<span class="w">Type</span>} =~ <span class="q">/^OrderedNumericalValues$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1516 1503 <span class="i">_ProcessOrderedNumericalValuesFingerprintsVectorsForSimilarityCalculation</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1517 1504 <span class="s">}</span> | |
| 1518 1505 <span class="k">elsif</span> <span class="s">(</span><span class="i">$FingerprintsVectorA</span>->{<span class="w">Type</span>} =~ <span class="q">/^NumericalValues$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1519 1506 <span class="i">_ProcessNumericalValuesFingerprintsVectorsForSimilarityCalculation</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1520 1507 <span class="s">}</span> | |
| 1521 1508 <span class="k">elsif</span> <span class="s">(</span><span class="i">$FingerprintsVectorA</span>->{<span class="w">Type</span>} =~ <span class="q">/^AlphaNumericalValues$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1522 1509 <span class="i">_ProcessAlphaNumericalValuesFingerprintsVectorsForSimilarityCalculation</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1523 1510 <span class="s">}</span> | |
| 1524 1511 <span class="k">else</span> <span class="s">{</span> | |
| 1525 1512 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->${ErrorMsg}: Fingerprint vector types $FingerprintsVectorA->{Type} is not valid..."</span><span class="sc">;</span> | |
| 1526 1513 <span class="s">}</span> | |
| 1527 1514 <span class="k">if</span> <span class="s">(</span><span class="i">$CalculationMode</span> =~ <span class="q">/^BinaryForm$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1528 1515 <span class="i">_TransformFinalOrderedValuesIntoBitVectorsForSimilarityCalculation</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1529 1516 <span class="s">}</span> | |
| 1530 1517 <span class="s">}</span> | |
| 1531 1518 | |
| 1532 1519 <span class="c"># Process fingerprints vectors with ordered numerical values for similarity calculations...</span> | |
| 1533 1520 <span class="c">#</span> | |
| 1534 <a name="_ProcessOrderedNumericalValuesFingerprintsVectorsForSimilarityCalculation-"></a>1521 <span class="k">sub </span><span class="m">_ProcessOrderedNumericalValuesFingerprintsVectorsForSimilarityCalculation</span> <span class="s">{</span> | |
| 1535 1522 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1536 1523 | |
| 1537 1524 <span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>} = \<span class="i">@</span>{<span class="i">$FingerprintsVectorA</span>->{<span class="w">Values</span>}}<span class="sc">;</span> | |
| 1538 1525 <span class="i">$FingerprintsVectorB</span>->{<span class="w">OrderedValuesRef</span>} = \<span class="i">@</span>{<span class="i">$FingerprintsVectorB</span>->{<span class="w">Values</span>}}<span class="sc">;</span> | |
| 1539 1526 <span class="s">}</span> | |
| 1540 1527 | |
| 1541 1528 <span class="c"># Process fingerprints vectors with numerical values for similarity calculations...</span> | |
| 1542 1529 <span class="c">#</span> | |
| 1543 <a name="_ProcessNumericalValuesFingerprintsVectorsForSimilarityCalculation-"></a>1530 <span class="k">sub </span><span class="m">_ProcessNumericalValuesFingerprintsVectorsForSimilarityCalculation</span> <span class="s">{</span> | |
| 1544 1531 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1545 1532 | |
| 1546 1533 <span class="c"># Set up unique IDs and values map for each fingerprint vector...</span> | |
| 1547 1534 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$ValueID</span><span class="cm">,</span> <span class="i">%UniqueFingerprintsVectorAValueIDValues</span><span class="cm">,</span> <span class="i">%UniqueFingerprintsVectorBValueIDValues</span><span class="cm">,</span> <span class="i">%UniqueFingerprintsVectorsValueIDs</span><span class="s">)</span><span class="sc">;</span> | |
| 1548 1535 | |
| 1549 1536 <span class="i">%UniqueFingerprintsVectorAValueIDValues</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1550 1537 <span class="i">%UniqueFingerprintsVectorBValueIDValues</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1551 1538 <span class="i">%UniqueFingerprintsVectorsValueIDs</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1552 1539 | |
| 1553 1540 <span class="c"># Go over first vector...</span> | |
| 1554 1541 <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$FingerprintsVectorA</span>->{<span class="w">ValueIDs</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 1555 1542 <span class="i">$ValueID</span> = <span class="i">$FingerprintsVectorA</span>->{<span class="w">ValueIDs</span>}[<span class="i">$Index</span>]<span class="sc">;</span> | |
| 1556 1543 <span class="i">$Value</span> = <span class="i">$FingerprintsVectorA</span>->{<span class="w">Values</span>}[<span class="i">$Index</span>]<span class="sc">;</span> | |
| 1557 1544 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$UniqueFingerprintsVectorAValueIDValues</span>{<span class="i">$ValueID</span>}<span class="s">)</span> <span class="s">{</span> | |
| 1558 1545 <span class="i">$UniqueFingerprintsVectorAValueIDValues</span>{<span class="i">$ValueID</span>} += <span class="i">$Value</span><span class="sc">;</span> | |
| 1559 1546 <span class="s">}</span> | |
| 1560 1547 <span class="k">else</span> <span class="s">{</span> | |
| 1561 1548 <span class="i">$UniqueFingerprintsVectorAValueIDValues</span>{<span class="i">$ValueID</span>} = <span class="i">$Value</span><span class="sc">;</span> | |
| 1562 1549 <span class="s">}</span> | |
| 1563 1550 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$UniqueFingerprintsVectorsValueIDs</span>{<span class="i">$ValueID</span>}<span class="s">)</span> <span class="s">{</span> | |
| 1564 1551 <span class="i">$UniqueFingerprintsVectorsValueIDs</span>{<span class="i">$ValueID</span>} = <span class="n">1</span><span class="sc">;</span> | |
| 1565 1552 <span class="s">}</span> | |
| 1566 1553 <span class="s">}</span> | |
| 1567 1554 | |
| 1568 1555 <span class="c"># Go over second vector...</span> | |
| 1569 1556 <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$FingerprintsVectorB</span>->{<span class="w">ValueIDs</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 1570 1557 <span class="i">$ValueID</span> = <span class="i">$FingerprintsVectorB</span>->{<span class="w">ValueIDs</span>}[<span class="i">$Index</span>]<span class="sc">;</span> | |
| 1571 1558 <span class="i">$Value</span> = <span class="i">$FingerprintsVectorB</span>->{<span class="w">Values</span>}[<span class="i">$Index</span>]<span class="sc">;</span> | |
| 1572 1559 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$UniqueFingerprintsVectorBValueIDValues</span>{<span class="i">$ValueID</span>}<span class="s">)</span> <span class="s">{</span> | |
| 1573 1560 <span class="i">$UniqueFingerprintsVectorBValueIDValues</span>{<span class="i">$ValueID</span>} += <span class="i">$Value</span><span class="sc">;</span> | |
| 1574 1561 <span class="s">}</span> | |
| 1575 1562 <span class="k">else</span> <span class="s">{</span> | |
| 1576 1563 <span class="i">$UniqueFingerprintsVectorBValueIDValues</span>{<span class="i">$ValueID</span>} = <span class="i">$Value</span><span class="sc">;</span> | |
| 1577 1564 <span class="s">}</span> | |
| 1578 1565 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$UniqueFingerprintsVectorsValueIDs</span>{<span class="i">$ValueID</span>}<span class="s">)</span> <span class="s">{</span> | |
| 1579 1566 <span class="i">$UniqueFingerprintsVectorsValueIDs</span>{<span class="i">$ValueID</span>} = <span class="n">1</span><span class="sc">;</span> | |
| 1580 1567 <span class="s">}</span> | |
| 1581 1568 <span class="s">}</span> | |
| 1582 1569 | |
| 1583 1570 <span class="c"># Setup ordered values...</span> | |
| 1584 1571 <span class="k">my</span><span class="s">(</span><span class="i">@UniqueOrderedValueIDs</span><span class="cm">,</span> <span class="i">@OrderedValuesA</span><span class="cm">,</span> <span class="i">@OrderedValuesB</span><span class="s">)</span><span class="sc">;</span> | |
| 1585 1572 | |
| 1586 1573 <span class="i">@UniqueOrderedValueIDs</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1587 1574 <span class="i">@UniqueOrderedValueIDs</span> = <span class="k">sort</span> <span class="k">keys</span> <span class="i">%UniqueFingerprintsVectorsValueIDs</span><span class="sc">;</span> | |
| 1588 1575 | |
| 1589 1576 <span class="i">@OrderedValuesA</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1590 1577 <span class="i">@OrderedValuesA</span> = <span class="k">map</span> <span class="s">{</span> <span class="k">exists</span> <span class="i">$UniqueFingerprintsVectorAValueIDValues</span>{<span class="i">$_</span>} ? <span class="i">$UniqueFingerprintsVectorAValueIDValues</span>{<span class="i">$_</span>} <span class="co">:</span> <span class="n">0</span> <span class="s">}</span> <span class="i">@UniqueOrderedValueIDs</span><span class="sc">;</span> | |
| 1591 1578 | |
| 1592 1579 <span class="i">@OrderedValuesB</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1593 1580 <span class="i">@OrderedValuesB</span> = <span class="k">map</span> <span class="s">{</span> <span class="k">exists</span> <span class="i">$UniqueFingerprintsVectorBValueIDValues</span>{<span class="i">$_</span>} ? <span class="i">$UniqueFingerprintsVectorBValueIDValues</span>{<span class="i">$_</span>} <span class="co">:</span> <span class="n">0</span> <span class="s">}</span> <span class="i">@UniqueOrderedValueIDs</span><span class="sc">;</span> | |
| 1594 1581 | |
| 1595 1582 <span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>} = \<span class="i">@OrderedValuesA</span><span class="sc">;</span> | |
| 1596 1583 <span class="i">$FingerprintsVectorB</span>->{<span class="w">OrderedValuesRef</span>} = \<span class="i">@OrderedValuesB</span><span class="sc">;</span> | |
| 1597 1584 <span class="s">}</span> | |
| 1598 1585 | |
| 1599 1586 <span class="c"># Process fingerprints vectors with allpha numerical values for similarity calculations...</span> | |
| 1600 1587 <span class="c">#</span> | |
| 1601 <a name="_ProcessAlphaNumericalValuesFingerprintsVectorsForSimilarityCalculation-"></a>1588 <span class="k">sub </span><span class="m">_ProcessAlphaNumericalValuesFingerprintsVectorsForSimilarityCalculation</span> <span class="s">{</span> | |
| 1602 1589 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1603 1590 | |
| 1604 1591 <span class="c"># Set up unique IDs and values map for each vector...</span> | |
| 1605 1592 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$ValueID</span><span class="cm">,</span> <span class="i">%UniqueFingerprintsVectorAValuesCount</span><span class="cm">,</span> <span class="i">%UniqueFingerprintsVectorBValuesCount</span><span class="cm">,</span> <span class="i">%UniqueFingerprintsVectorsValues</span><span class="s">)</span><span class="sc">;</span> | |
| 1606 1593 | |
| 1607 1594 <span class="i">%UniqueFingerprintsVectorAValuesCount</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1608 1595 <span class="i">%UniqueFingerprintsVectorBValuesCount</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1609 1596 <span class="i">%UniqueFingerprintsVectorsValues</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1610 1597 | |
| 1611 1598 <span class="c"># Go over first vector...</span> | |
| 1612 1599 <span class="k">for</span> <span class="i">$Value</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$FingerprintsVectorA</span>->{<span class="w">Values</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 1613 1600 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$UniqueFingerprintsVectorAValuesCount</span>{<span class="i">$Value</span>}<span class="s">)</span> <span class="s">{</span> | |
| 1614 1601 <span class="i">$UniqueFingerprintsVectorAValuesCount</span>{<span class="i">$Value</span>} += <span class="n">1</span><span class="sc">;</span> | |
| 1615 1602 <span class="s">}</span> | |
| 1616 1603 <span class="k">else</span> <span class="s">{</span> | |
| 1617 1604 <span class="i">$UniqueFingerprintsVectorAValuesCount</span>{<span class="i">$Value</span>} = <span class="n">1</span><span class="sc">;</span> | |
| 1618 1605 <span class="s">}</span> | |
| 1619 1606 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$UniqueFingerprintsVectorsValues</span>{<span class="i">$Value</span>}<span class="s">)</span> <span class="s">{</span> | |
| 1620 1607 <span class="i">$UniqueFingerprintsVectorsValues</span>{<span class="i">$Value</span>} = <span class="n">1</span><span class="sc">;</span> | |
| 1621 1608 <span class="s">}</span> | |
| 1622 1609 <span class="s">}</span> | |
| 1623 1610 | |
| 1624 1611 <span class="c"># Go over second vector...</span> | |
| 1625 1612 <span class="k">for</span> <span class="i">$Value</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$FingerprintsVectorB</span>->{<span class="w">Values</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 1626 1613 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$UniqueFingerprintsVectorBValuesCount</span>{<span class="i">$Value</span>}<span class="s">)</span> <span class="s">{</span> | |
| 1627 1614 <span class="i">$UniqueFingerprintsVectorBValuesCount</span>{<span class="i">$Value</span>} += <span class="n">1</span><span class="sc">;</span> | |
| 1628 1615 <span class="s">}</span> | |
| 1629 1616 <span class="k">else</span> <span class="s">{</span> | |
| 1630 1617 <span class="i">$UniqueFingerprintsVectorBValuesCount</span>{<span class="i">$Value</span>} = <span class="n">1</span><span class="sc">;</span> | |
| 1631 1618 <span class="s">}</span> | |
| 1632 1619 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$UniqueFingerprintsVectorsValues</span>{<span class="i">$Value</span>}<span class="s">)</span> <span class="s">{</span> | |
| 1633 1620 <span class="i">$UniqueFingerprintsVectorsValues</span>{<span class="i">$Value</span>} = <span class="n">1</span><span class="sc">;</span> | |
| 1634 1621 <span class="s">}</span> | |
| 1635 1622 <span class="s">}</span> | |
| 1636 1623 | |
| 1637 1624 <span class="c"># Setup ordered values...</span> | |
| 1638 1625 <span class="k">my</span><span class="s">(</span><span class="i">@UniqueOrderedValueIDs</span><span class="cm">,</span> <span class="i">@OrderedValuesA</span><span class="cm">,</span> <span class="i">@OrderedValuesB</span><span class="s">)</span><span class="sc">;</span> | |
| 1639 1626 | |
| 1640 1627 <span class="i">@UniqueOrderedValueIDs</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1641 1628 <span class="i">@UniqueOrderedValueIDs</span> = <span class="k">sort</span> <span class="k">keys</span> <span class="i">%UniqueFingerprintsVectorsValues</span><span class="sc">;</span> | |
| 1642 1629 | |
| 1643 1630 <span class="i">@OrderedValuesA</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1644 1631 <span class="i">@OrderedValuesA</span> = <span class="k">map</span> <span class="s">{</span> <span class="k">exists</span> <span class="i">$UniqueFingerprintsVectorAValuesCount</span>{<span class="i">$_</span>} ? <span class="i">$UniqueFingerprintsVectorAValuesCount</span>{<span class="i">$_</span>} <span class="co">:</span> <span class="n">0</span> <span class="s">}</span> <span class="i">@UniqueOrderedValueIDs</span><span class="sc">;</span> | |
| 1645 1632 | |
| 1646 1633 <span class="i">@OrderedValuesB</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1647 1634 <span class="i">@OrderedValuesB</span> = <span class="k">map</span> <span class="s">{</span> <span class="k">exists</span> <span class="i">$UniqueFingerprintsVectorBValuesCount</span>{<span class="i">$_</span>} ? <span class="i">$UniqueFingerprintsVectorBValuesCount</span>{<span class="i">$_</span>} <span class="co">:</span> <span class="n">0</span> <span class="s">}</span> <span class="i">@UniqueOrderedValueIDs</span><span class="sc">;</span> | |
| 1648 1635 | |
| 1649 1636 <span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>} = \<span class="i">@OrderedValuesA</span><span class="sc">;</span> | |
| 1650 1637 <span class="i">$FingerprintsVectorB</span>->{<span class="w">OrderedValuesRef</span>} = \<span class="i">@OrderedValuesB</span><span class="sc">;</span> | |
| 1651 1638 | |
| 1652 1639 <span class="s">}</span> | |
| 1653 1640 | |
| 1654 1641 <span class="c"># Transform final ordered values array into a BitVector for similarity calculation...</span> | |
| 1655 1642 <span class="c">#</span> | |
| 1656 <a name="_TransformFinalOrderedValuesIntoBitVectorsForSimilarityCalculation-"></a>1643 <span class="k">sub </span><span class="m">_TransformFinalOrderedValuesIntoBitVectorsForSimilarityCalculation</span> <span class="s">{</span> | |
| 1657 1644 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1658 1645 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$Size</span><span class="cm">,</span> <span class="i">$BitVectorA</span><span class="cm">,</span> <span class="i">$BitVectorB</span><span class="cm">,</span> <span class="i">$SkipCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 1659 1646 | |
| 1660 1647 <span class="c"># Create bit vectors...</span> | |
| 1661 1648 <span class="i">$Size</span> = <span class="k">scalar</span> <span class="i">@</span>{<span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>}}<span class="sc">;</span> | |
| 1662 1649 | |
| 1663 1650 <span class="i">$FingerprintsVectorA</span>->{<span class="w">BitVector</span>} = <span class="i">new</span> <span class="i">BitVector</span><span class="s">(</span><span class="i">$Size</span><span class="s">)</span><span class="sc">;</span> | |
| 1664 1651 <span class="i">$FingerprintsVectorB</span>->{<span class="w">BitVector</span>} = <span class="i">new</span> <span class="i">BitVector</span><span class="s">(</span><span class="i">$Size</span><span class="s">)</span><span class="sc">;</span> | |
| 1665 1652 | |
| 1666 1653 <span class="c"># Set bits...</span> | |
| 1667 1654 <span class="i">$SkipCheck</span> = <span class="n">1</span><span class="sc">;</span> | |
| 1668 1655 <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="s">(</span><span class="i">$Size</span> - <span class="n">1</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
| 1669 1656 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>}[<span class="i">$Index</span>]<span class="s">)</span> <span class="s">{</span> | |
| 1670 1657 <span class="i">$FingerprintsVectorA</span>->{<span class="w">BitVector</span>}<span class="i">->SetBit</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$SkipCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 1671 1658 <span class="s">}</span> | |
| 1672 1659 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsVectorB</span>->{<span class="w">OrderedValuesRef</span>}[<span class="i">$Index</span>]<span class="s">)</span> <span class="s">{</span> | |
| 1673 1660 <span class="i">$FingerprintsVectorB</span>->{<span class="w">BitVector</span>}<span class="i">->SetBit</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$SkipCheck</span><span class="s">)</span><span class="sc">;</span> | |
| 1674 1661 <span class="s">}</span> | |
| 1675 1662 <span class="s">}</span> | |
| 1676 1663 <span class="s">}</span> | |
| 1677 1664 | |
| 1678 1665 <span class="c"># Return sum of ordered vector values...</span> | |
| 1679 1666 <span class="c">#</span> | |
| 1680 <a name="_GetSumOfFingerprintsOrderedValues-"></a>1667 <span class="k">sub </span><span class="m">_GetSumOfFingerprintsOrderedValues</span> <span class="s">{</span> | |
| 1681 1668 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintVector</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1682 1669 | |
| 1683 1670 <span class="k">return</span> <span class="i">StatisticsUtil::Sum</span><span class="s">(</span><span class="i">$FingerprintVector</span>->{<span class="w">OrderedValuesRef</span>}<span class="s">)</span><span class="sc">;</span> | |
| 1684 1671 <span class="s">}</span> | |
| 1685 1672 | |
| 1686 1673 <span class="c"># Return sum of squared ordered vector values...</span> | |
| 1687 1674 <span class="c">#</span> | |
| 1688 <a name="_GetSumOfSquaresOfFingerprintsOrderedValues-"></a>1675 <span class="k">sub </span><span class="m">_GetSumOfSquaresOfFingerprintsOrderedValues</span> <span class="s">{</span> | |
| 1689 1676 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintVector</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1690 1677 | |
| 1691 1678 <span class="k">return</span> <span class="i">StatisticsUtil::SumOfSquares</span><span class="s">(</span><span class="i">$FingerprintVector</span>->{<span class="w">OrderedValuesRef</span>}<span class="s">)</span><span class="sc">;</span> | |
| 1692 1679 <span class="s">}</span> | |
| 1693 1680 | |
| 1694 1681 <span class="c"># Return sum of product of correponding ordered vector values...</span> | |
| 1695 1682 <span class="c">#</span> | |
| 1696 <a name="_GetSumOfProductOfFingerprintsOrderedValues-"></a>1683 <span class="k">sub </span><span class="m">_GetSumOfProductOfFingerprintsOrderedValues</span> <span class="s">{</span> | |
| 1697 1684 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1698 1685 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$SumProductXaiXbi</span><span class="s">)</span><span class="sc">;</span> | |
| 1699 1686 | |
| 1700 1687 <span class="i">$SumProductXaiXbi</span> = <span class="n">0</span><span class="sc">;</span> | |
| 1701 1688 <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 1702 1689 <span class="i">$SumProductXaiXbi</span> += <span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>}[<span class="i">$Index</span>] * <span class="i">$FingerprintsVectorB</span>->{<span class="w">OrderedValuesRef</span>}[<span class="i">$Index</span>]<span class="sc">;</span> | |
| 1703 1690 <span class="s">}</span> | |
| 1704 1691 <span class="k">return</span> <span class="i">$SumProductXaiXbi</span><span class="sc">;</span> | |
| 1705 1692 <span class="s">}</span> | |
| 1706 1693 | |
| 1707 1694 <span class="c"># Return sum of absolute value of subtraction of correponding ordered vector values...</span> | |
| 1708 1695 <span class="c">#</span> | |
| 1709 <a name="_GetSumOfAbsoluteValueOfSubtractionOfFingerprintsOrderedValues-"></a>1696 <span class="k">sub </span><span class="m">_GetSumOfAbsoluteValueOfSubtractionOfFingerprintsOrderedValues</span> <span class="s">{</span> | |
| 1710 1697 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1711 1698 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$SumAbsSubtractionXaiXbi</span><span class="s">)</span><span class="sc">;</span> | |
| 1712 1699 | |
| 1713 1700 <span class="i">$SumAbsSubtractionXaiXbi</span> = <span class="n">0</span><span class="sc">;</span> | |
| 1714 1701 <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 1715 1702 <span class="i">$SumAbsSubtractionXaiXbi</span> += <span class="k">abs</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>}[<span class="i">$Index</span>] - <span class="i">$FingerprintsVectorB</span>->{<span class="w">OrderedValuesRef</span>}[<span class="i">$Index</span>]<span class="s">)</span><span class="sc">;</span> | |
| 1716 1703 <span class="s">}</span> | |
| 1717 1704 <span class="k">return</span> <span class="i">$SumAbsSubtractionXaiXbi</span><span class="sc">;</span> | |
| 1718 1705 <span class="s">}</span> | |
| 1719 1706 | |
| 1720 1707 <span class="c"># Return sum of squares of subtraction of correponding ordered vector values...</span> | |
| 1721 1708 <span class="c">#</span> | |
| 1722 <a name="_GetSumOfSquaresOfSubtractionOfFingerprintsOrderedValues-"></a>1709 <span class="k">sub </span><span class="m">_GetSumOfSquaresOfSubtractionOfFingerprintsOrderedValues</span> <span class="s">{</span> | |
| 1723 1710 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1724 1711 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$SumSquaresSubtractionXaiXbi</span><span class="s">)</span><span class="sc">;</span> | |
| 1725 1712 | |
| 1726 1713 <span class="i">$SumSquaresSubtractionXaiXbi</span> = <span class="n">0</span><span class="sc">;</span> | |
| 1727 1714 <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 1728 1715 <span class="i">$SumSquaresSubtractionXaiXbi</span> += <span class="s">(</span><span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>}[<span class="i">$Index</span>] - <span class="i">$FingerprintsVectorB</span>->{<span class="w">OrderedValuesRef</span>}[<span class="i">$Index</span>]<span class="s">)</span>**<span class="n">2</span><span class="sc">;</span> | |
| 1729 1716 <span class="s">}</span> | |
| 1730 1717 <span class="k">return</span> <span class="i">$SumSquaresSubtractionXaiXbi</span><span class="sc">;</span> | |
| 1731 1718 <span class="s">}</span> | |
| 1732 1719 | |
| 1733 1720 <span class="c"># Return sum of minimum of correponding ordered vector values...</span> | |
| 1734 1721 <span class="c">#</span> | |
| 1735 <a name="_GetSumOfMinimumOfFingerprintsOrderdedValues-"></a>1722 <span class="k">sub </span><span class="m">_GetSumOfMinimumOfFingerprintsOrderdedValues</span> <span class="s">{</span> | |
| 1736 1723 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1737 1724 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$SumMinXaiXbi</span><span class="s">)</span><span class="sc">;</span> | |
| 1738 1725 | |
| 1739 1726 <span class="i">$SumMinXaiXbi</span> = <span class="n">0</span><span class="sc">;</span> | |
| 1740 1727 <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 1741 1728 <span class="i">$SumMinXaiXbi</span> += <span class="i">MathUtil::min</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>}[<span class="i">$Index</span>]<span class="cm">,</span> <span class="i">$FingerprintsVectorB</span>->{<span class="w">OrderedValuesRef</span>}[<span class="i">$Index</span>]<span class="s">)</span><span class="sc">;</span> | |
| 1742 1729 <span class="s">}</span> | |
| 1743 1730 <span class="k">return</span> <span class="i">$SumMinXaiXbi</span><span class="sc">;</span> | |
| 1744 1731 <span class="s">}</span> | |
| 1745 1732 | |
| 1746 1733 <span class="c"># Return sum of maximum of correponding ordered vector values...</span> | |
| 1747 1734 <span class="c">#</span> | |
| 1748 <a name="_GetSumOfMaximumOfFingerprintsOrderdedValues-"></a>1735 <span class="k">sub </span><span class="m">_GetSumOfMaximumOfFingerprintsOrderdedValues</span> <span class="s">{</span> | |
| 1749 1736 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1750 1737 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$SumMaxXaiXbi</span><span class="s">)</span><span class="sc">;</span> | |
| 1751 1738 | |
| 1752 1739 <span class="i">$SumMaxXaiXbi</span> = <span class="n">0</span><span class="sc">;</span> | |
| 1753 1740 <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>}}<span class="s">)</span> <span class="s">{</span> | |
| 1754 1741 <span class="i">$SumMaxXaiXbi</span> += <span class="i">MathUtil::max</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span>->{<span class="w">OrderedValuesRef</span>}[<span class="i">$Index</span>]<span class="cm">,</span> <span class="i">$FingerprintsVectorB</span>->{<span class="w">OrderedValuesRef</span>}[<span class="i">$Index</span>]<span class="s">)</span><span class="sc">;</span> | |
| 1755 1742 <span class="s">}</span> | |
| 1756 1743 <span class="k">return</span> <span class="i">$SumMaxXaiXbi</span><span class="sc">;</span> | |
| 1757 1744 <span class="s">}</span> | |
| 1758 1745 | |
| 1759 1746 <span class="c"># Get number of Na, Nb and Nc bits in vector A and B for BinaryForm calculation...</span> | |
| 1760 1747 <span class="c">#</span> | |
| 1761 <a name="_GetNumOfIndividualAndCommonSetBits-"></a>1748 <span class="k">sub </span><span class="m">_GetNumOfIndividualAndCommonSetBits ($$)</span> <span class="s">{</span> | |
| 1762 1749 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsVectorB</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1763 1750 <span class="k">my</span><span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="cm">,</span> <span class="i">$Nd</span><span class="cm">,</span> <span class="i">$FingerprintsBitVectorA</span><span class="cm">,</span> <span class="i">$FingerprintsBitVectorB</span><span class="s">)</span><span class="sc">;</span> | |
| 1764 1751 | |
| 1765 1752 <span class="i">$FingerprintsBitVectorA</span> = <span class="i">$FingerprintsVectorA</span>->{<span class="w">BitVector</span>}<span class="sc">;</span> | |
| 1766 1753 <span class="i">$FingerprintsBitVectorB</span> = <span class="i">$FingerprintsVectorB</span>->{<span class="w">BitVector</span>}<span class="sc">;</span> | |
| 1767 1754 | |
| 1768 1755 <span class="c"># Number of bits set to "1" in A</span> | |
| 1769 1756 <span class="i">$Na</span> = <span class="i">$FingerprintsBitVectorA</span><span class="i">->GetNumOfSetBits</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1770 1757 | |
| 1771 1758 <span class="c"># Number of bits set to "1" in B</span> | |
| 1772 1759 <span class="i">$Nb</span> = <span class="i">$FingerprintsBitVectorB</span><span class="i">->GetNumOfSetBits</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1773 1760 | |
| 1774 1761 <span class="c"># Number of bits set to "1" in both A and B</span> | |
| 1775 1762 <span class="k">my</span><span class="s">(</span><span class="i">$NcBitVector</span><span class="s">)</span><span class="sc">;</span> | |
| 1776 1763 <span class="i">$NcBitVector</span> = <span class="i">$FingerprintsBitVectorA</span> & <span class="i">$FingerprintsBitVectorB</span><span class="sc">;</span> | |
| 1777 1764 <span class="i">$Nc</span> = <span class="i">$NcBitVector</span><span class="i">->GetNumOfSetBits</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1778 1765 | |
| 1779 1766 <span class="k">return</span> <span class="s">(</span><span class="i">$Na</span><span class="cm">,</span> <span class="i">$Nb</span><span class="cm">,</span> <span class="i">$Nc</span><span class="s">)</span><span class="sc">;</span> | |
| 1780 1767 <span class="s">}</span> | |
| 1781 1768 | |
| 1782 1769 <span class="c"># Return a list of supported distance coefficients...</span> | |
| 1783 1770 <span class="c">#</span> | |
| 1784 <a name="GetSupportedDistanceCoefficients-"></a>1771 <span class="k">sub </span><span class="m">GetSupportedDistanceCoefficients ()</span> <span class="s">{</span> | |
| 1785 1772 | |
| 1786 1773 <span class="k">return</span> <span class="i">@DistanceCoefficients</span><span class="sc">;</span> | |
| 1787 1774 <span class="s">}</span> | |
| 1788 1775 | |
| 1789 1776 <span class="c"># Return a list of supported similarity coefficients...</span> | |
| 1790 1777 <span class="c">#</span> | |
| 1791 <a name="GetSupportedSimilarityCoefficients-"></a>1778 <span class="k">sub </span><span class="m">GetSupportedSimilarityCoefficients ()</span> <span class="s">{</span> | |
| 1792 1779 | |
| 1793 1780 <span class="k">return</span> <span class="i">@SimilarityCoefficients</span><span class="sc">;</span> | |
| 1794 1781 <span class="s">}</span> | |
| 1795 1782 | |
| 1796 1783 <span class="c"># Return a list of supported distance and similarity coefficients...</span> | |
| 1797 1784 <span class="c">#</span> | |
| 1798 <a name="GetSupportedDistanceAndSimilarityCoefficients-"></a>1785 <span class="k">sub </span><span class="m">GetSupportedDistanceAndSimilarityCoefficients ()</span> <span class="s">{</span> | |
| 1799 1786 <span class="k">my</span><span class="s">(</span><span class="i">@DistanceAndSimilarityCoefficients</span><span class="s">)</span><span class="sc">;</span> | |
| 1800 1787 | |
| 1801 1788 <span class="i">@DistanceAndSimilarityCoefficients</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1802 1789 <span class="k">push</span> <span class="i">@DistanceAndSimilarityCoefficients</span><span class="cm">,</span> <span class="i">@DistanceCoefficients</span><span class="sc">;</span> | |
| 1803 1790 <span class="k">push</span> <span class="i">@DistanceAndSimilarityCoefficients</span><span class="cm">,</span> <span class="i">@SimilarityCoefficients</span><span class="sc">;</span> | |
| 1804 1791 | |
| 1805 1792 <span class="k">return</span> <span class="k">sort</span> <span class="i">@DistanceAndSimilarityCoefficients</span><span class="sc">;</span> | |
| 1806 1793 <span class="s">}</span> | |
| 1807 1794 | |
| 1808 1795 <span class="c"># Is it a fingerprints vector object?</span> | |
| 1809 <a name="IsFingerprintsVector-"></a>1796 <span class="k">sub </span><span class="m">IsFingerprintsVector ($)</span> <span class="s">{</span> | |
| 1810 1797 <span class="k">my</span><span class="s">(</span><span class="i">$Object</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1811 1798 | |
| 1812 1799 <span class="k">return</span> <span class="i">_IsFingerprintsVector</span><span class="s">(</span><span class="i">$Object</span><span class="s">)</span><span class="sc">;</span> | |
| 1813 1800 <span class="s">}</span> | |
| 1814 1801 | |
| 1815 1802 <span class="c"># Is it a fingerprints vector object?</span> | |
| 1816 <a name="_IsFingerprintsVector-"></a>1803 <span class="k">sub </span><span class="m">_IsFingerprintsVector</span> <span class="s">{</span> | |
| 1817 1804 <span class="k">my</span><span class="s">(</span><span class="i">$Object</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1818 1805 | |
| 1819 1806 <span class="k">return</span> <span class="s">(</span><span class="i">Scalar::Util::blessed</span><span class="s">(</span><span class="i">$Object</span><span class="s">)</span> && <span class="i">$Object</span><span class="i">->isa</span><span class="s">(</span><span class="i">$ClassName</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> | |
| 1820 1807 <span class="s">}</span> | |
| 1821 1808 | |
| 1822 1809 <span class="c"># Return a string containing vector values...</span> | |
| 1823 <a name="StringifyFingerprintsVector-"></a>1810 <span class="k">sub </span><span class="m">StringifyFingerprintsVector</span> <span class="s">{</span> | |
| 1824 1811 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
| 1825 1812 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsVectorString</span><span class="s">)</span><span class="sc">;</span> | |
| 1826 1813 | |
| 1827 1814 <span class="c"># Set type, values and value IDs...</span> | |
| 1828 1815 <span class="k">my</span><span class="s">(</span><span class="i">$NumOfValues</span><span class="cm">,</span> <span class="i">$ValuesString</span><span class="cm">,</span> <span class="i">$NumOfValueIDs</span><span class="cm">,</span> <span class="i">$ValueIDsString</span><span class="cm">,</span> <span class="i">$MaxValuesToStringify</span><span class="s">)</span><span class="sc">;</span> | |
| 1829 1816 | |
| 1830 1817 <span class="i">$NumOfValues</span> = <span class="i">$This</span><span class="i">->GetNumOfValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1831 1818 <span class="i">$MaxValuesToStringify</span> = <span class="n">500</span><span class="sc">;</span> | |
| 1832 1819 | |
| 1833 1820 <span class="k">if</span> <span class="s">(</span><span class="i">$NumOfValues</span> < <span class="i">$MaxValuesToStringify</span><span class="s">)</span> <span class="s">{</span> | |
| 1834 1821 <span class="c"># Append all values...</span> | |
| 1835 1822 <span class="i">$ValuesString</span> = <span class="i">$NumOfValues</span> ? <span class="k">join</span> <span class="q">' '</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">Values</span>}} <span class="co">:</span> <span class="q">'None'</span><span class="sc">;</span> | |
| 1836 1823 <span class="s">}</span> | |
| 1837 1824 <span class="k">else</span> <span class="s">{</span> | |
| 1838 1825 <span class="c"># Truncate values...</span> | |
| 1839 1826 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">@Values</span><span class="s">)</span><span class="sc">;</span> | |
| 1840 1827 <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="s">(</span><span class="i">$MaxValuesToStringify</span> - <span class="n">1</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
| 1841 1828 <span class="k">push</span> <span class="i">@Values</span><span class="cm">,</span> <span class="i">$This</span>->{<span class="w">Values</span>}[<span class="i">$Index</span>]<span class="sc">;</span> | |
| 1842 1829 <span class="s">}</span> | |
| 1843 1830 <span class="i">$ValuesString</span> = <span class="k">join</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">@Values</span><span class="s">)</span> . <span class="q">" ..."</span><span class="sc">;</span> | |
| 1844 1831 <span class="s">}</span> | |
| 1845 1832 | |
| 1846 1833 <span class="i">$NumOfValueIDs</span> = <span class="i">$This</span><span class="i">->GetNumOfValueIDs</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1847 1834 <span class="k">if</span> <span class="s">(</span><span class="i">$NumOfValueIDs</span> < <span class="i">$MaxValuesToStringify</span><span class="s">)</span> <span class="s">{</span> | |
| 1848 1835 <span class="c"># Append all valueIDs...</span> | |
| 1849 1836 <span class="i">$ValueIDsString</span> = <span class="i">$NumOfValueIDs</span> ? <span class="k">join</span> <span class="q">' '</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$This</span>->{<span class="w">ValueIDs</span>}} <span class="co">:</span> <span class="q">'None'</span><span class="sc">;</span> | |
| 1850 1837 <span class="s">}</span> | |
| 1851 1838 <span class="k">else</span> <span class="s">{</span> | |
| 1852 1839 <span class="c"># Truncate value IDs...</span> | |
| 1853 1840 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">@ValueIDs</span><span class="s">)</span><span class="sc">;</span> | |
| 1854 1841 <span class="i">@ValueIDs</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1855 1842 <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="s">(</span><span class="i">$MaxValuesToStringify</span> - <span class="n">1</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
| 1856 1843 <span class="k">push</span> <span class="i">@ValueIDs</span><span class="cm">,</span> <span class="i">$This</span>->{<span class="w">ValueIDs</span>}[<span class="i">$Index</span>]<span class="sc">;</span> | |
| 1857 1844 <span class="s">}</span> | |
| 1858 1845 <span class="i">$ValueIDsString</span> = <span class="k">join</span><span class="s">(</span><span class="q">' '</span><span class="cm">,</span> <span class="i">@ValueIDs</span><span class="s">)</span> . <span class="q">" ..."</span><span class="sc">;</span> | |
| 1859 1846 <span class="s">}</span> | |
| 1860 1847 | |
| 1861 1848 <span class="i">$FingerprintsVectorString</span> = <span class="q">"Type: $This->{Type}; NumOfValues: $NumOfValues"</span><span class="sc">;</span> | |
| 1862 1849 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">Type</span>} =~ <span class="q">/^(OrderedNumericalValues|NumericalValues)$/i</span><span class="s">)</span> <span class="s">{</span> | |
| 1863 1850 <span class="k">my</span><span class="s">(</span><span class="i">$NumOfNonZeroValues</span><span class="s">)</span><span class="sc">;</span> | |
| 1864 1851 <span class="i">$NumOfNonZeroValues</span> = <span class="i">$This</span><span class="i">->GetNumOfNonZeroValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
| 1865 1852 <span class="i">$FingerprintsVectorString</span> .= <span class="q">"; NumOfNonZeroValues: $NumOfNonZeroValues"</span><span class="sc">;</span> | |
| 1866 1853 <span class="s">}</span> | |
| 1867 1854 | |
| 1868 1855 <span class="c"># Append all the values and value IDs...</span> | |
| 1869 1856 <span class="k">if</span> <span class="s">(</span><span class="i">$NumOfValues</span> < <span class="i">$MaxValuesToStringify</span><span class="s">)</span> <span class="s">{</span> | |
| 1870 1857 <span class="i">$FingerprintsVectorString</span> .= <span class="q">"; Values: <$ValuesString>; NumOfValueIDs: $NumOfValueIDs; ValueIDs: <$ValueIDsString>"</span><span class="sc">;</span> | |
| 1871 1858 <span class="s">}</span> | |
| 1872 1859 <span class="k">else</span> <span class="s">{</span> | |
| 1873 1860 <span class="i">$FingerprintsVectorString</span> .= <span class="q">"; Values (Truncated after $MaxValuesToStringify): <$ValuesString>; NumOfValueIDs: $NumOfValueIDs; ValueIDs (Truncated after $MaxValuesToStringify): <$ValueIDsString>"</span><span class="sc">;</span> | |
| 1874 1861 <span class="s">}</span> | |
| 1875 1862 | |
| 1876 1863 <span class="k">return</span> <span class="i">$FingerprintsVectorString</span><span class="sc">;</span> | |
| 1877 1864 <span class="s">}</span> | |
| 1878 1865 | |
| 1879 <a name="EOF-"></a></pre> | |
| 1880 <p> </p> | |
| 1881 <br /> | |
| 1882 <center> | |
| 1883 <img src="../../../images/h2o2.png"> | |
| 1884 </center> | |
| 1885 </body> | |
| 1886 </html> |