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