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1 <html> | |
2 <head> | |
3 <title>MayaChemTools:Documentation:Fingerprints::FingerprintsBitVector.pm</title> | |
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10 <a href="http://www.mayachemtools.org" title="MayaChemTools Home"><img src="../../images/MayaChemToolsLogo.gif" border="0" alt="MayaChemTools"></a> | |
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12 <br/> | |
13 <div class="DocNav"> | |
14 <table width="100%" border=0 cellpadding=0 cellspacing=2> | |
15 <tr align="left" valign="top"><td width="33%" align="left"><a href="./Fingerprints.html" title="Fingerprints.html">Previous</a> <a href="./index.html" title="Table of Contents">TOC</a> <a href="./FingerprintsFileUtil.html" title="FingerprintsFileUtil.html">Next</a></td><td width="34%" align="middle"><strong>Fingerprints::FingerprintsBitVector.pm</strong></td><td width="33%" align="right"><a href="././code/FingerprintsBitVector.html" title="View source code">Code</a> | <a href="./../pdf/FingerprintsBitVector.pdf" title="PDF US Letter Size">PDF</a> | <a href="./../pdfgreen/FingerprintsBitVector.pdf" title="PDF US Letter Size with narrow margins: www.changethemargins.com">PDFGreen</a> | <a href="./../pdfa4/FingerprintsBitVector.pdf" title="PDF A4 Size">PDFA4</a> | <a href="./../pdfa4green/FingerprintsBitVector.pdf" title="PDF A4 Size with narrow margins: www.changethemargins.com">PDFA4Green</a></td></tr> | |
16 </table> | |
17 </div> | |
18 <p> | |
19 </p> | |
20 <h2>NAME</h2> | |
21 <p>FingerprintsBitVector</p> | |
22 <p> | |
23 </p> | |
24 <h2>SYNOPSIS</h2> | |
25 <p>use Fingerprints::FingerprintsBitVector;</p> | |
26 <p>use Fingerprints::FingerprintsBitVector qw(:coefficients);</p> | |
27 <p>use Fingerprints::FingerprintsBitVector qw(:all);</p> | |
28 <p> | |
29 </p> | |
30 <h2>DESCRIPTION</h2> | |
31 <p><strong>FingerprintsBitVector</strong> class provides the following methods:</p> | |
32 <p> <a href="#new">new</a>, <a href="#baroniurbanisimilaritycoefficient">BaroniUrbaniSimilarityCoefficient</a>, <a href="#busersimilaritycoefficient">BuserSimilarityCoefficient</a> | |
33 , <a href="#cosinesimilaritycoefficient">CosineSimilarityCoefficient</a>, <a href="#dennissimilaritycoefficient">DennisSimilarityCoefficient</a> | |
34 , <a href="#dicesimilaritycoefficient">DiceSimilarityCoefficient</a>, <a href="#foldfingerprintsbitvectorbydensity">FoldFingerprintsBitVectorByDensity</a> | |
35 , <a href="#foldfingerprintsbitvectorbysize">FoldFingerprintsBitVectorBySize</a>, <a href="#forbessimilaritycoefficient">ForbesSimilarityCoefficient</a> | |
36 , <a href="#fossumsimilaritycoefficient">FossumSimilarityCoefficient</a>, <a href="#getbitsasbinarystring">GetBitsAsBinaryString</a>, <a href="#getbitsasdecimalstring">GetBitsAsDecimalString</a> | |
37 , <a href="#getbitsashexadecimalstring">GetBitsAsHexadecimalString</a>, <a href="#getbitsasoctalstring">GetBitsAsOctalString</a>, <a href="#getbitsasrawbinarystring">GetBitsAsRawBinaryString</a> | |
38 , <a href="#getdescription">GetDescription</a>, <a href="#getfingerprintsbitdensity">GetFingerprintsBitDensity</a>, <a href="#getid">GetID</a>, <a href="#getspecifiedsize">GetSpecifiedSize</a> | |
39 , <a href="#getsupportedsimilaritycoefficients">GetSupportedSimilarityCoefficients</a>, <a href="#getvectortype">GetVectorType</a>, <a href="#hamannsimilaritycoefficient">HamannSimilarityCoefficient</a> | |
40 , <a href="#isfingerprintsbitvector">IsFingerprintsBitVector</a>, <a href="#issubset">IsSubSet</a>, <a href="#jacardsimilaritycoefficient">JacardSimilarityCoefficient</a> | |
41 , <a href="#kulczynski1similaritycoefficient">Kulczynski1SimilarityCoefficient</a>, <a href="#kulczynski2similaritycoefficient">Kulczynski2SimilarityCoefficient</a> | |
42 , <a href="#matchingsimilaritycoefficient">MatchingSimilarityCoefficient</a>, <a href="#mcconnaugheysimilaritycoefficient">McConnaugheySimilarityCoefficient</a> | |
43 , <a href="#newfrombinarystring">NewFromBinaryString</a>, <a href="#newfromdecimalstring">NewFromDecimalString</a>, <a href="#newfromhexadecimalstring">NewFromHexadecimalString</a> | |
44 , <a href="#newfromoctalstring">NewFromOctalString</a>, <a href="#newfromrawbinarystring">NewFromRawBinaryString</a>, <a href="#ochiaisimilaritycoefficient">OchiaiSimilarityCoefficient</a> | |
45 , <a href="#pearsonsimilaritycoefficient">PearsonSimilarityCoefficient</a>, <a href="#rogerstanimotosimilaritycoefficient">RogersTanimotoSimilarityCoefficient</a> | |
46 , <a href="#russellraosimilaritycoefficient">RussellRaoSimilarityCoefficient</a>, <a href="#setdescription">SetDescription</a>, <a href="#setid">SetID</a>, <a href="#setspecifiedsize">SetSpecifiedSize</a> | |
47 , <a href="#setvectortype">SetVectorType</a>, <a href="#simpsonsimilaritycoefficient">SimpsonSimilarityCoefficient</a>, <a href="#skoalsneath1similaritycoefficient">SkoalSneath1SimilarityCoefficient</a> | |
48 , <a href="#skoalsneath2similaritycoefficient">SkoalSneath2SimilarityCoefficient</a>, <a href="#skoalsneath3similaritycoefficient">SkoalSneath3SimilarityCoefficient</a> | |
49 , <a href="#stringifyfingerprintsbitvector">StringifyFingerprintsBitVector</a>, <a href="#tanimotosimilaritycoefficient">TanimotoSimilarityCoefficient</a> | |
50 , <a href="#tverskysimilaritycoefficient">TverskySimilarityCoefficient</a>, <a href="#weightedtanimotosimilaritycoefficient">WeightedTanimotoSimilarityCoefficient</a> | |
51 , <a href="#weightedtverskysimilaritycoefficient">WeightedTverskySimilarityCoefficient</a>, <a href="#yulesimilaritycoefficient">YuleSimilarityCoefficient</a> | |
52 </p><p>The methods available to create fingerprints bit vector from strings and to calculate similarity | |
53 coefficient between two bit vectors can also be invoked as class functions.</p> | |
54 <p><strong>FingerprintsBitVector</strong> class is derived from <strong>BitVector</strong> class which provides the functionality | |
55 to manipulate bits.</p> | |
56 <p>For two fingerprints bit vectors A and B of same size, let:</p> | |
57 <div class="OptionsBox"> | |
58 Na = Number of bits set to "1" in A | |
59 <br/> Nb = Number of bits set to "1" in B | |
60 <br/> Nc = Number of bits set to "1" in both A and B | |
61 <br/> Nd = Number of bits set to "0" in both A and B</div> | |
62 <div class="OptionsBox"> | |
63 Nt = Number of bits set to "1" or "0" in A or B (Size of A or B) | |
64 <br/> Nt = Na + Nb - Nc + Nd</div> | |
65 <div class="OptionsBox"> | |
66 Na - Nc = Number of bits set to "1" in A but not in B | |
67 <br/> Nb - Nc = Number of bits set to "1" in B but not in A</div> | |
68 <p>Then, various similarity coefficients [ Ref. 40 - 42 ] for a pair of bit vectors A and B are | |
69 defined as follows:</p> | |
70 <p>BaroniUrbani: ( SQRT( Nc * Nd ) + Nc ) / ( SQRT ( Nc * Nd ) + Nc + ( Na - Nc ) + ( Nb - Nc ) ) ( same as Buser )</p> | |
71 <p>Buser: ( SQRT ( Nc * Nd ) + Nc ) / ( SQRT ( Nc * Nd ) + Nc + ( Na - Nc ) + ( Nb - Nc ) ) ( same as BaroniUrbani )</p> | |
72 <p>Cosine: Nc / SQRT ( Na * Nb ) (same as Ochiai)</p> | |
73 <p>Dice: (2 * Nc) / ( Na + Nb )</p> | |
74 <p>Dennis: ( Nc * Nd - ( ( Na - Nc ) * ( Nb - Nc ) ) ) / SQRT ( Nt * Na * Nb)</p> | |
75 <p>Forbes: ( Nt * Nc ) / ( Na * Nb )</p> | |
76 <p>Fossum: ( Nt * ( ( Nc - 1/2 ) ** 2 ) / ( Na * Nb )</p> | |
77 <p>Hamann: ( ( Nc + Nd ) - ( Na - Nc ) - ( Nb - Nc ) ) / Nt</p> | |
78 <p>Jaccard: Nc / ( ( Na - Nc) + ( Nb - Nc ) + Nc ) = Nc / ( Na + Nb - Nc ) (same as Tanimoto)</p> | |
79 <p>Kulczynski1: Nc / ( ( Na - Nc ) + ( Nb - Nc) ) = Nc / ( Na + Nb - 2Nc )</p> | |
80 <p>Kulczynski2: ( ( Nc / 2 ) * ( 2 * Nc + ( Na - Nc ) + ( Nb - Nc) ) ) / ( ( Nc + ( Na - Nc ) ) * ( Nc + ( Nb - Nc ) ) ) | |
81 = 0.5 * ( Nc / Na + Nc / Nb )</p> | |
82 <p>Matching: ( Nc + Nd ) / Nt</p> | |
83 <p>McConnaughey: ( Nc ** 2 - ( Na - Nc ) * ( Nb - Nc) ) / ( Na * Nb )</p> | |
84 <p>Ochiai: Nc / SQRT ( Na * Nb ) (same as Cosine)</p> | |
85 <p>Pearson: ( ( Nc * Nd ) - ( ( Na - Nc ) * ( Nb - Nc ) ) / SQRT ( Na * Nb * ( Na - Nc + Nd ) * ( Nb - Nc + Nd ) )</p> | |
86 <p>RogersTanimoto: ( Nc + Nd ) / ( ( Na - Nc) + ( Nb - Nc) + Nt) = ( Nc + Nd ) / ( Na + Nb - 2Nc + Nt)</p> | |
87 <p>RussellRao: Nc / Nt</p> | |
88 <p>Simpson: Nc / MIN ( Na, Nb)</p> | |
89 <p>SkoalSneath1: Nc / ( Nc + 2 * ( Na - Nc) + 2 * ( Nb - Nc) ) = Nc / ( 2 * Na + 2 * Nb - 3 * Nc )</p> | |
90 <p>SkoalSneath2: ( 2 * Nc + 2 * Nd ) / ( Nc + Nd + Nt )</p> | |
91 <p>SkoalSneath3: ( Nc + Nd ) / ( ( Na - Nc ) + ( Nb - Nc ) ) = ( Nc + Nd ) / ( Na + Nb - 2 * Nc )</p> | |
92 <p>Tanimoto: Nc / ( ( Na - Nc) + ( Nb - Nc ) + Nc ) = Nc / ( Na + Nb - Nc ) (same as Jaccard)</p> | |
93 <p>Tversky: Nc / ( alpha * ( Na - Nc ) + ( 1 - alpha) * ( Nb - Nc) + Nc ) = Nc / ( alpha * ( Na - Nb ) + Nb)</p> | |
94 <p>Yule: ( ( Nc * Nd ) - ( ( Na - Nc ) * ( Nb - Nc ) ) ) / ( ( Nc * Nd ) + ( ( Na - Nc ) * ( Nb - Nc ) ) )</p> | |
95 <p>The values of Tanimoto/Jaccard and Tversky coefficients are dependent on only those bit which | |
96 are set to "1" in both A and B. In order to take into account all bit positions, modified versions | |
97 of Tanimoto [ Ref. 42 ] and Tversky [ Ref. 43 ] have been developed.</p> | |
98 <p>Let:</p> | |
99 <div class="OptionsBox"> | |
100 Na' = Number of bits set to "0" in A | |
101 <br/> Nb' = Number of bits set to "0" in B | |
102 <br/> Nc' = Number of bits set to "0" in both A and B</div> | |
103 <p>Tanimoto': Nc' / ( ( Na' - Nc') + ( Nb' - Nc' ) + Nc' ) = Nc' / ( Na' + Nb' - Nc' )</p> | |
104 <p>Tversky': Nc' / ( alpha * ( Na' - Nc' ) + ( 1 - alpha) * ( Nb' - Nc' ) + Nc' ) = Nc' / ( alpha * ( Na' - Nb' ) + Nb')</p> | |
105 <p>Then:</p> | |
106 <p>WeightedTanimoto = beta * Tanimoto + (1 - beta) * Tanimoto'</p> | |
107 <p>WeightedTversky = beta * Tversky + (1 - beta) * Tversky'</p> | |
108 <p> | |
109 </p> | |
110 <h2>METHODS</h2> | |
111 <dl> | |
112 <dt><strong><a name="new" class="item"><strong>new</strong></a></strong></dt> | |
113 <dd> | |
114 <div class="OptionsBox"> | |
115 $NewFPBitVector = new Fingerprints::FingerprintsBitVector($Size);</div> | |
116 <p>Creates a new <em>FingerprintsBitVector</em> object of size <em>Size</em> and returns newly created | |
117 <strong>FingerprintsBitVector</strong>. Bit numbers range from 0 to 1 less than <em>Size</em>.</p> | |
118 </dd> | |
119 <dt><strong><a name="baroniurbanisimilaritycoefficient" class="item"><strong>BaroniUrbaniSimilarityCoefficient</strong></a></strong></dt> | |
120 <dd> | |
121 <div class="OptionsBox"> | |
122 $Value = $FingerprintsBitVector->BaroniUrbaniSimilarityCoefficient( | |
123 $OtherFingerprintBitVector); | |
124 <br/> $Value = Fingerprints::FingerprintsBitVector:: | |
125 BaroniUrbaniSimilarityCoefficient( | |
126 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
127 <p>Returns value of <em>BaroniUrbani</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
128 </dd> | |
129 <dt><strong><a name="busersimilaritycoefficient" class="item"><strong>BuserSimilarityCoefficient</strong></a></strong></dt> | |
130 <dd> | |
131 <div class="OptionsBox"> | |
132 $Value = $FingerprintsBitVector->BuserSimilarityCoefficient( | |
133 $OtherFingerprintBitVector); | |
134 <br/> $Value = Fingerprints::FingerprintsBitVector::BuserSimilarityCoefficient( | |
135 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
136 <p>Returns value of <em>Buser</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
137 </dd> | |
138 <dt><strong><a name="cosinesimilaritycoefficient" class="item"><strong>CosineSimilarityCoefficient</strong></a></strong></dt> | |
139 <dd> | |
140 <div class="OptionsBox"> | |
141 $Value = $FingerprintsBitVector->CosineSimilarityCoefficient( | |
142 $OtherFingerprintBitVector); | |
143 <br/> $Value = Fingerprints::FingerprintsBitVector::CosineSimilarityCoefficient( | |
144 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
145 <p>Returns value of <em>Cosine</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
146 </dd> | |
147 <dt><strong><a name="dennissimilaritycoefficient" class="item"><strong>DennisSimilarityCoefficient</strong></a></strong></dt> | |
148 <dd> | |
149 <div class="OptionsBox"> | |
150 $Value = $FingerprintsBitVector->DennisSimilarityCoefficient( | |
151 $OtherFingerprintBitVector); | |
152 <br/> $Value = Fingerprints::FingerprintsBitVector::DennisSimilarityCoefficient( | |
153 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
154 <p>Returns value of <em>Dennis</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
155 </dd> | |
156 <dt><strong><a name="dicesimilaritycoefficient" class="item"><strong>DiceSimilarityCoefficient</strong></a></strong></dt> | |
157 <dd> | |
158 <div class="OptionsBox"> | |
159 $Value = $FingerprintsBitVector->DiceSimilarityCoefficient( | |
160 $OtherFingerprintBitVector); | |
161 <br/> $Value = Fingerprints::FingerprintsBitVector::DiceSimilarityCoefficient( | |
162 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
163 <p>Returns value of <em>Dice</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
164 </dd> | |
165 <dt><strong><a name="foldfingerprintsbitvectorbydensity" class="item"><strong>FoldFingerprintsBitVectorByDensity</strong></a></strong></dt> | |
166 <dd> | |
167 <div class="OptionsBox"> | |
168 $FingerprintsBitVector->FoldFingerprintsBitVectorByDensity($Density);</div> | |
169 <p>Folds <em>FingerprintsBitVector</em> by recursively reducing its size by half until bit density of set bits is | |
170 greater than or equal to specified <em>Density</em> and returns folded <em>FingerprintsBitVector</em>.</p> | |
171 </dd> | |
172 <dt><strong><a name="foldfingerprintsbitvectorbysize" class="item"><strong>FoldFingerprintsBitVectorBySize</strong></a></strong></dt> | |
173 <dd> | |
174 <div class="OptionsBox"> | |
175 $FingerprintsBitVector->FoldFingerprintsBitVectorBySize($Size);</div> | |
176 <p>Folds <em>FingerprintsBitVector</em> by recursively reducing its size by half until size is less than or equal to | |
177 specified <em>Size</em> and returns folded <em>FingerprintsBitVector</em>.</p> | |
178 </dd> | |
179 <dt><strong><a name="forbessimilaritycoefficient" class="item"><strong>ForbesSimilarityCoefficient</strong></a></strong></dt> | |
180 <dd> | |
181 <div class="OptionsBox"> | |
182 $Value = $FingerprintsBitVector->ForbesSimilarityCoefficient( | |
183 $OtherFingerprintBitVector); | |
184 <br/> $Value = Fingerprints::FingerprintsBitVector::ForbesSimilarityCoefficient( | |
185 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
186 <p>Returns value of <em>Forbes</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
187 </dd> | |
188 <dt><strong><a name="fossumsimilaritycoefficient" class="item"><strong>FossumSimilarityCoefficient</strong></a></strong></dt> | |
189 <dd> | |
190 <div class="OptionsBox"> | |
191 $Value = $FingerprintsBitVector->FossumSimilarityCoefficient( | |
192 $OtherFingerprintBitVector); | |
193 <br/> $Value = Fingerprints::FingerprintsBitVector::FossumSimilarityCoefficient( | |
194 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
195 <p>Returns value of <em>Fossum</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
196 </dd> | |
197 <dt><strong><a name="getbitsasbinarystring" class="item"><strong>GetBitsAsBinaryString</strong></a></strong></dt> | |
198 <dd> | |
199 <div class="OptionsBox"> | |
200 $BinaryASCIIString = $FingerprintsBitVector->GetBitsAsBinaryString();</div> | |
201 <p>Returns fingerprints as a binary ASCII string containing 0s and 1s.</p> | |
202 </dd> | |
203 <dt><strong><a name="getbitsashexadecimalstring" class="item"><strong>GetBitsAsHexadecimalString</strong></a></strong></dt> | |
204 <dd> | |
205 <div class="OptionsBox"> | |
206 $HexadecimalString = $FingerprintsBitVector->GetBitsAsHexadecimalString();</div> | |
207 <p>Returns fingerprints as a hexadecimal string.</p> | |
208 </dd> | |
209 <dt><strong><a name="getbitsasrawbinarystring" class="item"><strong>GetBitsAsRawBinaryString</strong></a></strong></dt> | |
210 <dd> | |
211 <div class="OptionsBox"> | |
212 $RawBinaryString = $FingerprintsBitVector->GetBitsAsRawBinaryString();</div> | |
213 <p>Returns fingerprints as a raw binary string containing packed bit values for each byte.</p> | |
214 </dd> | |
215 <dt><strong><a name="getdescription" class="item"><strong>GetDescription</strong></a></strong></dt> | |
216 <dd> | |
217 <div class="OptionsBox"> | |
218 $Description = $FingerprintsBitVector->GetDescription();</div> | |
219 <p>Returns a string containing description of fingerprints bit vector.</p> | |
220 </dd> | |
221 <dt><strong><a name="getfingerprintsbitdensity" class="item"><strong>GetFingerprintsBitDensity</strong></a></strong></dt> | |
222 <dd> | |
223 <div class="OptionsBox"> | |
224 $BitDensity = $FingerprintsBitVector->GetFingerprintsBitDensity();</div> | |
225 <p>Returns <em>BitDensity</em> of <em>FingerprintsBitVector</em> corresponding to bits set to 1s.</p> | |
226 </dd> | |
227 <dt><strong><a name="getid" class="item"><strong>GetID</strong></a></strong></dt> | |
228 <dd> | |
229 <div class="OptionsBox"> | |
230 $ID = $FingerprintsBitVector->GetID();</div> | |
231 <p>Returns <em>ID</em> of <em>FingerprintsBitVector</em>.</p> | |
232 </dd> | |
233 <dt><strong><a name="getvectortype" class="item"><strong>GetVectorType</strong></a></strong></dt> | |
234 <dd> | |
235 <div class="OptionsBox"> | |
236 $VectorType = $FingerprintsBitVector->GetVectorType();</div> | |
237 <p>Returns <em>VectorType</em> of <em>FingerprintsBitVector</em>.</p> | |
238 </dd> | |
239 <dt><strong><a name="getspecifiedsize" class="item"><strong>GetSpecifiedSize</strong></a></strong></dt> | |
240 <dd> | |
241 <div class="OptionsBox"> | |
242 $Size = $FingerprintsBitVector->GetSpecifiedSize();</div> | |
243 <p>Returns value of specified size for bit vector.</p> | |
244 </dd> | |
245 <dt><strong><a name="getsupportedsimilaritycoefficients" class="item"><strong>GetSupportedSimilarityCoefficients</strong></a></strong></dt> | |
246 <dd> | |
247 <div class="OptionsBox"> | |
248 @SimilarityCoefficient = | |
249 Fingerprints::FingerprintsBitVector::GetSupportedSimilarityCoefficients();</div> | |
250 <p>Returns an array containing names of supported similarity coefficients.</p> | |
251 </dd> | |
252 <dt><strong><a name="hamannsimilaritycoefficient" class="item"><strong>HamannSimilarityCoefficient</strong></a></strong></dt> | |
253 <dd> | |
254 <div class="OptionsBox"> | |
255 $Value = $FingerprintsBitVector->HamannSimilarityCoefficient( | |
256 $OtherFingerprintBitVector); | |
257 <br/> $Value = Fingerprints::FingerprintsBitVector::HamannSimilarityCoefficient( | |
258 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
259 <p>Returns value of <em>Hamann</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
260 </dd> | |
261 <dt><strong><a name="isfingerprintsbitvector" class="item"><strong>IsFingerprintsBitVector</strong></a></strong></dt> | |
262 <dd> | |
263 <div class="OptionsBox"> | |
264 $Status = Fingerprints::FingerprintsBitVector:: | |
265 IsFingerprintsBitVector($Object);</div> | |
266 <p>Returns 1 or 0 based on whether <em>Object</em> is a <strong>FingerprintsBitVector</strong> object.</p> | |
267 </dd> | |
268 <dt><strong><a name="issubset" class="item"><strong>IsSubSet</strong></a></strong></dt> | |
269 <dd> | |
270 <div class="OptionsBox"> | |
271 $Status = $FingerprintsBitVector->IsSubSet($OtherFPBitVector); | |
272 <br/> $Status = Fingerprints::FingerprintsBitVector::IsSubSet( | |
273 $FPBitVectorA, $FPBitVectorB);</div> | |
274 <p>Returns 1 or 0 based on whether first firngerprints bit vector is a subset of second | |
275 fingerprints bit vector.</p> | |
276 <p>For a bit vector to be a subset of another bit vector, both vectors must be of | |
277 the same size and the bit positions set in first vector must also be set in the | |
278 second bit vector.</p> | |
279 </dd> | |
280 <dt><strong><a name="jacardsimilaritycoefficient" class="item"><strong>JacardSimilarityCoefficient</strong></a></strong></dt> | |
281 <dd> | |
282 <div class="OptionsBox"> | |
283 $Value = $FingerprintsBitVector->JacardSimilarityCoefficient( | |
284 $OtherFingerprintBitVector); | |
285 <br/> $Value = Fingerprints::FingerprintsBitVector::JacardSimilarityCoefficient( | |
286 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
287 <p>Returns value of <em>Jacard</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
288 </dd> | |
289 <dt><strong><a name="kulczynski1similaritycoefficient" class="item"><strong>Kulczynski1SimilarityCoefficient</strong></a></strong></dt> | |
290 <dd> | |
291 <div class="OptionsBox"> | |
292 $Value = $FingerprintsBitVector->Kulczynski1SimilarityCoefficient( | |
293 $OtherFingerprintBitVector); | |
294 <br/> $Value = Fingerprints::FingerprintsBitVector:: | |
295 Kulczynski1SimilarityCoefficient( | |
296 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
297 <p>Returns value of <em>Kulczynski1</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
298 </dd> | |
299 <dt><strong><a name="kulczynski2similaritycoefficient" class="item"><strong>Kulczynski2SimilarityCoefficient</strong></a></strong></dt> | |
300 <dd> | |
301 <div class="OptionsBox"> | |
302 $Value = $FingerprintsBitVector->Kulczynski2SimilarityCoefficient( | |
303 $OtherFingerprintBitVector); | |
304 <br/> $Value = Fingerprints::FingerprintsBitVector:: | |
305 Kulczynski2SimilarityCoefficient( | |
306 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
307 <p>Returns value of <em>Kulczynski2</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
308 </dd> | |
309 <dt><strong><a name="matchingsimilaritycoefficient" class="item"><strong>MatchingSimilarityCoefficient</strong></a></strong></dt> | |
310 <dd> | |
311 <div class="OptionsBox"> | |
312 $Value = $FingerprintsBitVector->MatchingSimilarityCoefficient( | |
313 $OtherFingerprintBitVector); | |
314 <br/> $Value = Fingerprints::FingerprintsBitVector:: | |
315 MatchingSimilarityCoefficient( | |
316 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
317 <p>Returns value of <em>Matching</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
318 </dd> | |
319 <dt><strong><a name="mcconnaugheysimilaritycoefficient" class="item"><strong>McConnaugheySimilarityCoefficient</strong></a></strong></dt> | |
320 <dd> | |
321 <div class="OptionsBox"> | |
322 $Value = $FingerprintsBitVector->McConnaugheySimilarityCoefficient( | |
323 $OtherFingerprintBitVector); | |
324 <br/> $Value = Fingerprints::FingerprintsBitVector:: | |
325 McConnaugheySimilarityCoefficient( | |
326 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
327 <p>Returns value of <em>McConnaughey</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
328 </dd> | |
329 <dt><strong><a name="newfrombinarystring" class="item"><strong>NewFromBinaryString</strong></a></strong></dt> | |
330 <dd> | |
331 <div class="OptionsBox"> | |
332 $NewFPBitVector = $FingerprintsBitVector->NewFromBinaryString( | |
333 $BinaryString); | |
334 <br/> $NewFPBitVector = Fingerprints::FingerprintsBitVector::NewFromBinaryString( | |
335 $BinaryString);</div> | |
336 <p>Creates a new <em>FingerprintsBitVector</em> using <em>BinaryString</em> and returns new | |
337 <strong>FingerprintsBitVector</strong> object.</p> | |
338 </dd> | |
339 <dt><strong><a name="newfromhexadecimalstring" class="item"><strong>NewFromHexadecimalString</strong></a></strong></dt> | |
340 <dd> | |
341 <div class="OptionsBox"> | |
342 $NewFPBitVector = $FingerprintsBitVector->NewFromHexadecimalString( | |
343 $HexdecimalString); | |
344 <br/> $NewFPBitVector = Fingerprints::FingerprintsBitVector:: | |
345 NewFromHexadecimalString( | |
346 $HexdecimalString);</div> | |
347 <p>Creates a new <em>FingerprintsBitVector</em> using <em>HexdecimalString</em> and returns new | |
348 <strong>FingerprintsBitVector</strong> object.</p> | |
349 </dd> | |
350 <dt><strong><a name="newfromrawbinarystring" class="item"><strong>NewFromRawBinaryString</strong></a></strong></dt> | |
351 <dd> | |
352 <div class="OptionsBox"> | |
353 $NewFPBitVector = $FingerprintsBitVector->NewFromRawBinaryString( | |
354 $RawBinaryString); | |
355 <br/> $NewFPBitVector = Fingerprints::FingerprintsBitVector:: | |
356 NewFromRawBinaryString( | |
357 $RawBinaryString);</div> | |
358 <p>Creates a new <em>FingerprintsBitVector</em> using <em>RawBinaryString</em> and returns new | |
359 <strong>FingerprintsBitVector</strong> object.</p> | |
360 </dd> | |
361 <dt><strong><a name="ochiaisimilaritycoefficient" class="item"><strong>OchiaiSimilarityCoefficient</strong></a></strong></dt> | |
362 <dd> | |
363 <div class="OptionsBox"> | |
364 $Value = $FingerprintsBitVector->OchiaiSimilarityCoefficient( | |
365 $OtherFingerprintBitVector); | |
366 <br/> $Value = Fingerprints::FingerprintsBitVector::OchiaiSimilarityCoefficient( | |
367 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
368 <p>Returns value of <em>Ochiai</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
369 </dd> | |
370 <dt><strong><a name="pearsonsimilaritycoefficient" class="item"><strong>PearsonSimilarityCoefficient</strong></a></strong></dt> | |
371 <dd> | |
372 <div class="OptionsBox"> | |
373 $Value = $FingerprintsBitVector->PearsonSimilarityCoefficient( | |
374 $OtherFingerprintBitVector); | |
375 <br/> $Value = Fingerprints::FingerprintsBitVector::PearsonSimilarityCoefficient( | |
376 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
377 <p>Returns value of <em>Pearson</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
378 </dd> | |
379 <dt><strong><a name="rogerstanimotosimilaritycoefficient" class="item"><strong>RogersTanimotoSimilarityCoefficient</strong></a></strong></dt> | |
380 <dd> | |
381 <div class="OptionsBox"> | |
382 $Value = $FingerprintsBitVector->RogersTanimotoSimilarityCoefficient( | |
383 $OtherFingerprintBitVector); | |
384 <br/> $Value = Fingerprints::FingerprintsBitVector:: | |
385 RogersTanimotoSimilarityCoefficient( | |
386 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
387 <p>Returns value of <em>RogersTanimoto</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
388 </dd> | |
389 <dt><strong><a name="russellraosimilaritycoefficient" class="item"><strong>RussellRaoSimilarityCoefficient</strong></a></strong></dt> | |
390 <dd> | |
391 <div class="OptionsBox"> | |
392 $Value = $FingerprintsBitVector->RussellRaoSimilarityCoefficient( | |
393 $OtherFingerprintBitVector); | |
394 <br/> $Value = Fingerprints::FingerprintsBitVector:: | |
395 RussellRaoSimilarityCoefficient( | |
396 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
397 <p>Returns value of <em>RussellRao</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
398 </dd> | |
399 <dt><strong><a name="setspecifiedsize" class="item"><strong>SetSpecifiedSize</strong></a></strong></dt> | |
400 <dd> | |
401 <div class="OptionsBox"> | |
402 $FingerprintsBitVector->SetSpecifiedSize($Size);</div> | |
403 <p>Sets specified size for fingerprints bit vector.</p> | |
404 <p>Irrespective of specified size, Perl functions used to handle bit data in <strong>BitVector</strong> class | |
405 automatically sets the size to the next nearest power of 2. <em>SpecifiedSize</em> is used by | |
406 <strong>FingerprintsBitVector</strong> class to process any aribitray size during similarity coefficient calculations.</p> | |
407 </dd> | |
408 <dt><strong><a name="setdescription" class="item"><strong>SetDescription</strong></a></strong></dt> | |
409 <dd> | |
410 <div class="OptionsBox"> | |
411 $FingerprintsBitVector->SetDescription($Description);</div> | |
412 <p>Sets <em>Description</em> of fingerprints bit vector and returns <em>FingerprintsBitVector</em>.</p> | |
413 </dd> | |
414 <dt><strong><a name="setid" class="item"><strong>SetID</strong></a></strong></dt> | |
415 <dd> | |
416 <div class="OptionsBox"> | |
417 $FingerprintsBitVector->SetID($ID);</div> | |
418 <p>Sets <em>ID</em> of fingerprints bit vector and returns <em>FingerprintsBitVector</em>.</p> | |
419 </dd> | |
420 <dt><strong><a name="setvectortype" class="item"><strong>SetVectorType</strong></a></strong></dt> | |
421 <dd> | |
422 <div class="OptionsBox"> | |
423 $FingerprintsBitVector->SetVectorType($VectorType);</div> | |
424 <p>Sets <em>VectorType</em> of fingerprints bit vector and returns <em>FingerprintsBitVector</em>.</p> | |
425 </dd> | |
426 <dt><strong><a name="simpsonsimilaritycoefficient" class="item"><strong>SimpsonSimilarityCoefficient</strong></a></strong></dt> | |
427 <dd> | |
428 <div class="OptionsBox"> | |
429 $Value = $FingerprintsBitVector->SimpsonSimilarityCoefficient( | |
430 $OtherFingerprintBitVector); | |
431 <br/> $Value = Fingerprints::FingerprintsBitVector::SimpsonSimilarityCoefficient( | |
432 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
433 <p>Returns value of <em>Simpson</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
434 </dd> | |
435 <dt><strong><a name="skoalsneath1similaritycoefficient" class="item"><strong>SkoalSneath1SimilarityCoefficient</strong></a></strong></dt> | |
436 <dd> | |
437 <div class="OptionsBox"> | |
438 $Value = $FingerprintsBitVector->SkoalSneath1SimilarityCoefficient( | |
439 $OtherFingerprintBitVector); | |
440 <br/> $Value = Fingerprints::FingerprintsBitVector:: | |
441 SkoalSneath1SimilarityCoefficient( | |
442 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
443 <p>Returns value of <em>SkoalSneath1</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
444 </dd> | |
445 <dt><strong><a name="skoalsneath2similaritycoefficient" class="item"><strong>SkoalSneath2SimilarityCoefficient</strong></a></strong></dt> | |
446 <dd> | |
447 <div class="OptionsBox"> | |
448 $Value = $FingerprintsBitVector->SkoalSneath2SimilarityCoefficient( | |
449 $OtherFingerprintBitVector); | |
450 <br/> $Value = Fingerprints::FingerprintsBitVector:: | |
451 SkoalSneath2SimilarityCoefficient( | |
452 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
453 <p>Returns value of <em>SkoalSneath2</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
454 </dd> | |
455 <dt><strong><a name="skoalsneath3similaritycoefficient" class="item"><strong>SkoalSneath3SimilarityCoefficient</strong></a></strong></dt> | |
456 <dd> | |
457 <div class="OptionsBox"> | |
458 $Value = $FingerprintsBitVector->SkoalSneath3SimilarityCoefficient( | |
459 $OtherFingerprintBitVector); | |
460 <br/> $Value = Fingerprints::FingerprintsBitVector:: | |
461 SkoalSneath3SimilarityCoefficient( | |
462 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
463 <p>Returns value of <em>SkoalSneath3</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em></p> | |
464 </dd> | |
465 <dt><strong><a name="stringifyfingerprintsbitvector" class="item"><strong>StringifyFingerprintsBitVector</strong></a></strong></dt> | |
466 <dd> | |
467 <div class="OptionsBox"> | |
468 $String = $FingerprintsBitVector->StringifyFingerprintsBitVector();</div> | |
469 <p>Returns a string containing information about <em>FingerprintsBitVector</em> object.</p> | |
470 </dd> | |
471 <dt><strong><a name="tanimotosimilaritycoefficient" class="item"><strong>TanimotoSimilarityCoefficient</strong></a></strong></dt> | |
472 <dd> | |
473 <div class="OptionsBox"> | |
474 $Value = $FingerprintsBitVector->TanimotoSimilarityCoefficient( | |
475 $OtherFingerprintBitVector); | |
476 <br/> $Value = Fingerprints::FingerprintsBitVector:: | |
477 TanimotoSimilarityCoefficient( | |
478 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
479 <p>Returns value of <em>Tanimoto</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
480 </dd> | |
481 <dt><strong><a name="tverskysimilaritycoefficient" class="item"><strong>TverskySimilarityCoefficient</strong></a></strong></dt> | |
482 <dd> | |
483 <div class="OptionsBox"> | |
484 $Value = $FingerprintsBitVector->TverskySimilarityCoefficient( | |
485 $OtherFingerprintBitVector, $Alpha); | |
486 <br/> $Value = Fingerprints::FingerprintsBitVector:: | |
487 TverskySimilarityCoefficient( | |
488 $FingerprintsBitVectorA, $FingerprintBitVectorB, $Alpha);</div> | |
489 <p>Returns value of <em>Tversky</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
490 </dd> | |
491 <dt><strong><a name="weightedtanimotosimilaritycoefficient" class="item"><strong>WeightedTanimotoSimilarityCoefficient</strong></a></strong></dt> | |
492 <dd> | |
493 <div class="OptionsBox"> | |
494 $Value = | |
495 $FingerprintsBitVector->WeightedTanimotoSimilarityCoefficient( | |
496 $OtherFingerprintBitVector, $Beta); | |
497 <br/> $Value = | |
498 Fingerprints::FingerprintsBitVector:: | |
499 WeightedTanimotoSimilarityCoefficient( | |
500 $FingerprintsBitVectorA, $FingerprintBitVectorB, $Beta);</div> | |
501 <p>Returns value of <em>WeightedTanimoto</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
502 </dd> | |
503 <dt><strong><a name="weightedtverskysimilaritycoefficient" class="item"><strong>WeightedTverskySimilarityCoefficient</strong></a></strong></dt> | |
504 <dd> | |
505 <div class="OptionsBox"> | |
506 $Value = | |
507 $FingerprintsBitVector->WeightedTverskySimilarityCoefficient( | |
508 $OtherFingerprintBitVector, $Alpha, $Beta); | |
509 <br/> $Value = | |
510 Fingerprints::FingerprintsBitVector:: | |
511 WeightedTverskySimilarityCoefficient( | |
512 $FingerprintsBitVectorA, $FingerprintBitVectorB, $Alpha, $Beta);</div> | |
513 <p>Returns value of <em>WeightedTversky</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
514 </dd> | |
515 <dt><strong><a name="yulesimilaritycoefficient" class="item"><strong>YuleSimilarityCoefficient</strong></a></strong></dt> | |
516 <dd> | |
517 <div class="OptionsBox"> | |
518 $Value = $FingerprintsBitVector->YuleSimilarityCoefficient( | |
519 $OtherFingerprintBitVector); | |
520 <br/> $Value = Fingerprints::FingerprintsBitVector::YuleSimilarityCoefficient( | |
521 $FingerprintsBitVectorA, $FingerprintBitVectorB);</div> | |
522 <p>Returns value of <em>Yule</em> similarity coefficient between two same size <em>FingerprintsBitVectors</em>.</p> | |
523 </dd> | |
524 </dl> | |
525 <p> | |
526 </p> | |
527 <h2>AUTHOR</h2> | |
528 <p><a href="mailto:msud@san.rr.com">Manish Sud</a></p> | |
529 <p> | |
530 </p> | |
531 <h2>SEE ALSO</h2> | |
532 <p><a href="./BitVector.html">BitVector.pm</a>, <a href="./FingerprintsStringUtil.html">FingerprintsStringUtil.pm</a>, <a href="./FingerprintsVector.html">FingerprintsVector.pm</a>, <a href="./Vector.html">Vector.pm</a> | |
533 </p> | |
534 <p> | |
535 </p> | |
536 <h2>COPYRIGHT</h2> | |
537 <p>Copyright (C) 2015 Manish Sud. All rights reserved.</p> | |
538 <p>This file is part of MayaChemTools.</p> | |
539 <p>MayaChemTools is free software; you can redistribute it and/or modify it under | |
540 the terms of the GNU Lesser General Public License as published by the Free | |
541 Software Foundation; either version 3 of the License, or (at your option) | |
542 any later version.</p> | |
543 <p> </p><p> </p><div class="DocNav"> | |
544 <table width="100%" border=0 cellpadding=0 cellspacing=2> | |
545 <tr align="left" valign="top"><td width="33%" align="left"><a href="./Fingerprints.html" title="Fingerprints.html">Previous</a> <a href="./index.html" title="Table of Contents">TOC</a> <a href="./FingerprintsFileUtil.html" title="FingerprintsFileUtil.html">Next</a></td><td width="34%" align="middle"><strong>March 29, 2015</strong></td><td width="33%" align="right"><strong>Fingerprints::FingerprintsBitVector.pm</strong></td></tr> | |
546 </table> | |
547 </div> | |
548 <br /> | |
549 <center> | |
550 <img src="../../images/h2o2.png"> | |
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