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124 .\" ========================================================================
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125 .\"
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126 .IX Title "FINGERPRINTSVECTOR 1"
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127 .TH FINGERPRINTSVECTOR 1 "2015-03-29" "perl v5.14.2" "MayaChemTools"
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128 .\" For nroff, turn off justification. Always turn off hyphenation; it makes
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129 .\" way too many mistakes in technical documents.
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130 .if n .ad l
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131 .nh
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132 .SH "NAME"
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133 FingerprintsVector
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134 .SH "SYNOPSIS"
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135 .IX Header "SYNOPSIS"
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136 use Fingerprints::FingerprintsVector;
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137 .PP
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138 use Fingerprints::FingerprintsVector qw(:all);
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139 .SH "DESCRIPTION"
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140 .IX Header "DESCRIPTION"
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141 \&\fBFingerprintsVector\fR class provides the following methods:
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142 .PP
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143 new, AddValueIDs, AddValues, CityBlockDistanceCoefficient,
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144 CosineSimilarityCoefficient, CzekanowskiSimilarityCoefficient,
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145 DiceSimilarityCoefficient, EuclideanDistanceCoefficient, GetDescription,
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146 GetFingerprintsVectorString, GetID, GetIDsAndValuesPairsString,
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147 GetIDsAndValuesString, GetNumOfNonZeroValues, GetNumOfValueIDs, GetNumOfValues,
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148 GetSupportedDistanceAndSimilarityCoefficients, GetSupportedDistanceCoefficients,
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149 GetSupportedSimilarityCoefficients, GetType, GetValue, GetValueID, GetValueIDs,
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150 GetValueIDsString, GetValues, GetValuesAndIDsPairsString, GetValuesAndIDsString,
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151 GetValuesString, GetVectorType, HammingDistanceCoefficient, IsFingerprintsVector,
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152 JaccardSimilarityCoefficient, ManhattanDistanceCoefficient,
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153 NewFromIDsAndValuesPairsString, NewFromIDsAndValuesString,
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154 NewFromValuesAndIDsPairsString, NewFromValuesAndIDsString, NewFromValuesString,
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155 OchiaiSimilarityCoefficient, SetDescription, SetID, SetType, SetValue, SetValueID,
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156 SetValueIDs, SetValues, SetVectorType, SoergelDistanceCoefficient,
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157 SorensonSimilarityCoefficient, StringifyFingerprintsVector,
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158 TanimotoSimilarityCoefficient
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159 .PP
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160 The methods available to create fingerprints vector from strings and to calculate similarity
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161 and distance coefficients between two vectors can also be invoked as class functions.
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162 .PP
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163 \&\fBFingerprintsVector\fR class provides support to perform comparison between vectors
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164 containing three different types of values:
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165 .PP
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166 Type I: OrderedNumericalValues
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167 .PP
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168 .Vb 3
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169 \& o Size of two vectors are same
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170 \& o Vectors contain real values in a specific order. For example: MACCS keys
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171 \& count, Topological pharmacophore atom pairs and so on.
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172 .Ve
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173 .PP
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174 Type \s-1II:\s0 UnorderedNumericalValues
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175 .PP
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176 .Vb 3
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177 \& o Size of two vectors might not be same
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178 \& o Vectors contain unordered real value identified by value IDs. For example:
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179 \& Topological atom pairs, Topological atom torsions and so on
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180 .Ve
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181 .PP
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182 Type \s-1III:\s0 AlphaNumericalValues
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183 .PP
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184 .Vb 3
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185 \& o Size of two vectors might not be same
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186 \& o Vectors contain unordered alphanumerical values. For example: Extended
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187 \& connectivity fingerprints, atom neighborhood fingerprints.
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188 .Ve
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189 .PP
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190 Before performing similarity or distance calculations between vectors containing UnorderedNumericalValues
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191 or AlphaNumericalValues, the vectors are transformed into vectors containing unique OrderedNumericalValues
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192 using value IDs for UnorderedNumericalValues and values itself for AlphaNumericalValues.
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193 .PP
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194 Three forms of similarity and distance calculation between two vectors, specified using \fBCalculationMode\fR
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195 option, are supported: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR.
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196 .PP
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197 For \fIBinaryForm\fR, the ordered list of processed final vector values containing the value or
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198 count of each unique value type is simply converted into a binary vector containing 1s and 0s
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199 corresponding to presence or absence of values before calculating similarity or distance between
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200 two vectors.
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201 .PP
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202 For two fingerprint vectors A and B of same size containing OrderedNumericalValues, let:
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203 .PP
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204 .Vb 1
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205 \& N = Number values in A or B
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206 \&
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207 \& Xa = Values of vector A
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208 \& Xb = Values of vector B
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209 \&
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210 \& Xai = Value of ith element in A
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211 \& Xbi = Value of ith element in B
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212 \&
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213 \& SUM = Sum of i over N values
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214 .Ve
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215 .PP
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216 For SetTheoreticForm of calculation between two vectors, let:
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217 .PP
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218 .Vb 2
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219 \& SetIntersectionXaXb = SUM ( MIN ( Xai, Xbi ) )
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220 \& SetDifferenceXaXb = SUM ( Xai ) + SUM ( Xbi ) \- SUM ( MIN ( Xai, Xbi ) )
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221 .Ve
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222 .PP
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223 For BinaryForm of calculation between two vectors, let:
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224 .PP
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225 .Vb 5
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226 \& Na = Number of bits set to "1" in A = SUM ( Xai )
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227 \& Nb = Number of bits set to "1" in B = SUM ( Xbi )
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228 \& Nc = Number of bits set to "1" in both A and B = SUM ( Xai * Xbi )
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229 \& Nd = Number of bits set to "0" in both A and B
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230 \& = SUM ( 1 \- Xai \- Xbi + Xai * Xbi)
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231 \&
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232 \& N = Number of bits set to "1" or "0" in A or B = Size of A or B = Na + Nb \- Nc + Nd
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233 .Ve
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234 .PP
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235 Additionally, for BinaryForm various values also correspond to:
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236 .PP
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237 .Vb 4
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238 \& Na = | Xa |
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239 \& Nb = | Xb |
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240 \& Nc = | SetIntersectionXaXb |
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241 \& Nd = N \- | SetDifferenceXaXb |
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242 \&
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243 \& | SetDifferenceXaXb | = N \- Nd = Na + Nb \- Nc + Nd \- Nd = Na + Nb \- Nc
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244 \& = | Xa | + | Xb | \- | SetIntersectionXaXb |
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245 .Ve
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246 .PP
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247 Various similarity and distance coefficients [ Ref 40, Ref 62, Ref 64 ] for a pair of vectors A and B
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248 in \fIAlgebraicForm, BinaryForm and SetTheoreticForm\fR are defined as follows:
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249 .PP
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250 \&\fBCityBlockDistance\fR: ( same as HammingDistance and ManhattanDistance)
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251 .PP
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252 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( \s-1ABS\s0 ( Xai \- Xbi ) )
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253 .PP
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254 \&\fIBinaryForm\fR: ( Na \- Nc ) + ( Nb \- Nc ) = Na + Nb \- 2 * Nc
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255 .PP
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256 \&\fISetTheoreticForm\fR: | SetDifferenceXaXb | \- | SetIntersectionXaXb | = \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) \- 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) )
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257 .PP
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258 \&\fBCosineSimilarity\fR: ( same as OchiaiSimilarityCoefficient)
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259 .PP
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260 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( Xai * Xbi ) / \s-1SQRT\s0 ( \s-1SUM\s0 ( Xai ** 2) * \s-1SUM\s0 ( Xbi ** 2) )
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261 .PP
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262 \&\fIBinaryForm\fR: Nc / \s-1SQRT\s0 ( Na * Nb)
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263 .PP
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264 \&\fISetTheoreticForm\fR: | SetIntersectionXaXb | / \s-1SQRT\s0 ( |Xa| * |Xb| ) = \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) / \s-1SQRT\s0 ( \s-1SUM\s0 ( Xai ) * \s-1SUM\s0 ( Xbi ) )
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265 .PP
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266 \&\fBCzekanowskiSimilarity\fR: ( same as DiceSimilarity and SorensonSimilarity)
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267 .PP
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268 \&\fIAlgebraicForm\fR: ( 2 * ( \s-1SUM\s0 ( Xai * Xbi ) ) ) / ( \s-1SUM\s0 ( Xai ** 2) + \s-1SUM\s0 ( Xbi **2 ) )
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269 .PP
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270 \&\fIBinaryForm\fR: 2 * Nc / ( Na + Nb )
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271 .PP
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272 \&\fISetTheoreticForm\fR: 2 * | SetIntersectionXaXb | / ( |Xa| + |Xb| ) = 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) ) / ( \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) )
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273 .PP
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274 \&\fBDiceSimilarity\fR: ( same as CzekanowskiSimilarity and SorensonSimilarity)
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275 .PP
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276 \&\fIAlgebraicForm\fR: ( 2 * ( \s-1SUM\s0 ( Xai * Xbi ) ) ) / ( \s-1SUM\s0 ( Xai ** 2) + \s-1SUM\s0 ( Xbi **2 ) )
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277 .PP
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278 \&\fIBinaryForm\fR: 2 * Nc / ( Na + Nb )
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279 .PP
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280 \&\fISetTheoreticForm\fR: 2 * | SetIntersectionXaXb | / ( |Xa| + |Xb| ) = 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) ) / ( \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) )
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281 .PP
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282 \&\fBEuclideanDistance\fR:
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283 .PP
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284 \&\fIAlgebraicForm\fR: \s-1SQRT\s0 ( \s-1SUM\s0 ( ( ( Xai \- Xbi ) ** 2 ) ) )
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285 .PP
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286 \&\fIBinaryForm\fR: \s-1SQRT\s0 ( ( Na \- Nc ) + ( Nb \- Nc ) ) = \s-1SQRT\s0 ( Na + Nb \- 2 * Nc )
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287 .PP
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288 \&\fISetTheoreticForm\fR: \s-1SQRT\s0 ( | SetDifferenceXaXb | \- | SetIntersectionXaXb | ) = \s-1SQRT\s0 ( \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) \- 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) ) )
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289 .PP
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290 \&\fBHammingDistance\fR: ( same as CityBlockDistance and ManhattanDistance)
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291 .PP
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292 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( \s-1ABS\s0 ( Xai \- Xbi ) )
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293 .PP
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294 \&\fIBinaryForm\fR: ( Na \- Nc ) + ( Nb \- Nc ) = Na + Nb \- 2 * Nc
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295 .PP
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296 \&\fISetTheoreticForm\fR: | SetDifferenceXaXb | \- | SetIntersectionXaXb | = \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) \- 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) )
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297 .PP
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298 \&\fBJaccardSimilarity\fR: ( same as TanimotoSimilarity)
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299 .PP
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300 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( Xai * Xbi ) / ( \s-1SUM\s0 ( Xai ** 2 ) + \s-1SUM\s0 ( Xbi ** 2 ) \- \s-1SUM\s0 ( Xai * Xbi ) )
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301 .PP
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302 \&\fIBinaryForm\fR: Nc / ( ( Na \- Nc ) + ( Nb \- Nc ) + Nc ) = Nc / ( Na + Nb \- Nc )
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303 .PP
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304 \&\fISetTheoreticForm\fR: | SetIntersectionXaXb | / | SetDifferenceXaXb | = \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) / ( \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) \- \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) )
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305 .PP
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306 \&\fBManhattanDistance\fR: ( same as CityBlockDistance and HammingDistance)
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307 .PP
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308 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( \s-1ABS\s0 ( Xai \- Xbi ) )
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309 .PP
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310 \&\fIBinaryForm\fR: ( Na \- Nc ) + ( Nb \- Nc ) = Na + Nb \- 2 * Nc
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311 .PP
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312 \&\fISetTheoreticForm\fR: | SetDifferenceXaXb | \- | SetIntersectionXaXb | = \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) \- 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) )
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313 .PP
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314 \&\fBOchiaiSimilarity\fR: ( same as CosineSimilarity)
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315 .PP
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316 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( Xai * Xbi ) / \s-1SQRT\s0 ( \s-1SUM\s0 ( Xai ** 2) * \s-1SUM\s0 ( Xbi ** 2) )
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317 .PP
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318 \&\fIBinaryForm\fR: Nc / \s-1SQRT\s0 ( Na * Nb)
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319 .PP
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320 \&\fISetTheoreticForm\fR: | SetIntersectionXaXb | / \s-1SQRT\s0 ( |Xa| * |Xb| ) = \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) / \s-1SQRT\s0 ( \s-1SUM\s0 ( Xai ) * \s-1SUM\s0 ( Xbi ) )
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321 .PP
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322 \&\fBSorensonSimilarity\fR: ( same as CzekanowskiSimilarity and DiceSimilarity)
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323 .PP
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324 \&\fIAlgebraicForm\fR: ( 2 * ( \s-1SUM\s0 ( Xai * Xbi ) ) ) / ( \s-1SUM\s0 ( Xai ** 2) + \s-1SUM\s0 ( Xbi **2 ) )
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325 .PP
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326 \&\fIBinaryForm\fR: 2 * Nc / ( Na + Nb )
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327 .PP
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328 \&\fISetTheoreticForm\fR: 2 * | SetIntersectionXaXb | / ( |Xa| + |Xb| ) = 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) ) / ( \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) )
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329 .PP
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330 \&\fBSoergelDistance\fR:
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331 .PP
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332 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( \s-1ABS\s0 ( Xai \- Xbi ) ) / \s-1SUM\s0 ( \s-1MAX\s0 ( Xai, Xbi ) )
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333 .PP
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334 \&\fIBinaryForm\fR: 1 \- Nc / ( Na + Nb \- Nc ) = ( Na + Nb \- 2 * Nc ) / ( Na + Nb \- Nc )
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335 .PP
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336 \&\fISetTheoreticForm\fR: ( | SetDifferenceXaXb | \- | SetIntersectionXaXb | ) / | SetDifferenceXaXb | = ( \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) \- 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) ) ) / ( \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) \- \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) )
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337 .PP
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338 \&\fBTanimotoSimilarity\fR: ( same as JaccardSimilarity)
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339 .PP
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340 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( Xai * Xbi ) / ( \s-1SUM\s0 ( Xai ** 2 ) + \s-1SUM\s0 ( Xbi ** 2 ) \- \s-1SUM\s0 ( Xai * Xbi ) )
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341 .PP
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342 \&\fIBinaryForm\fR: Nc / ( ( Na \- Nc ) + ( Nb \- Nc ) + Nc ) = Nc / ( Na + Nb \- Nc )
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343 .PP
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344 \&\fISetTheoreticForm\fR: | SetIntersectionXaXb | / | SetDifferenceXaXb | = \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) / ( \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) \- \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) )
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345 .SS "\s-1METHODS\s0"
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346 .IX Subsection "METHODS"
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347 .IP "\fBnew\fR" 4
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348 .IX Item "new"
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349 .Vb 1
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350 \& $FPVector = new Fingerprints::FingerprintsVector(%NamesAndValues);
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351 .Ve
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352 .Sp
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353 Using specified \fIFingerprintsVector\fR property names and values hash, \fBnew\fR method creates
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354 a new object and returns a reference to newly created \fBFingerprintsVectorsVector\fR
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355 object. By default, the following properties are initialized:
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356 .Sp
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357 .Vb 3
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358 \& Type = \*(Aq\*(Aq
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359 \& @{Values} = ()
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360 \& @{ValuesIDs} = ()
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361 .Ve
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362 .Sp
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363 Examples:
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364 .Sp
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365 .Vb 7
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366 \& $FPVector = new Fingerprints::FingerprintsVector(\*(AqType\*(Aq => \*(AqOrderedNumericalValues\*(Aq,
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367 \& \*(AqValues\*(Aq => [1, 2, 3, 4]);
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368 \& $FPVector = new Fingerprints::FingerprintsVector(\*(AqType\*(Aq => \*(AqNumericalValues\*(Aq,
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369 \& \*(AqValues\*(Aq => [10, 22, 33, 44],
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370 \& \*(AqValueIDs\*(Aq => [\*(AqID1\*(Aq, \*(AqID2\*(Aq, \*(AqID3\*(Aq, \*(AqID4\*(Aq]);
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371 \& $FPVector = new Fingerprints::FingerprintsVector(\*(AqType\*(Aq => \*(AqAlphaNumericalValues\*(Aq,
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372 \& \*(AqValues\*(Aq => [\*(Aqa1\*(Aq, 2, \*(Aqa3\*(Aq, 4]);
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373 .Ve
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374 .IP "\fBAddValueIDs\fR" 4
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375 .IX Item "AddValueIDs"
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376 .Vb 2
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377 \& $FingerprintsVector\->AddValueIDs($ValueIDsRef);
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378 \& $FingerprintsVector\->AddValueIDs(@ValueIDs);
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379 .Ve
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380 .Sp
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381 Adds specified \fIValueIDs\fR to \fIFingerprintsVector\fR and returns \fIFingerprintsVector\fR.
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382 .IP "\fBAddValues\fR" 4
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383 .IX Item "AddValues"
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384 .Vb 3
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385 \& $FingerprintsVector\->AddValues($ValuesRef);
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386 \& $FingerprintsVector\->AddValues(@Values);
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387 \& $FingerprintsVector\->AddValues($Vector);
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388 .Ve
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389 .Sp
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390 Adds specified \fIValues\fR to \fIFingerprintsVector\fR and returns \fIFingerprintsVector\fR.
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391 .IP "\fBCityBlockDistanceCoefficient\fR" 4
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392 .IX Item "CityBlockDistanceCoefficient"
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393 .Vb 5
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394 \& $Value = $FingerprintsVector\->CityBlockDistanceCoefficient(
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395 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]);
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396 \& $Value = Fingerprints::FingerprintsVector::CityBlockDistanceCoefficient(
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397 \& $FingerprintsVectorA, $FingerprintVectorB,
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398 \& [$CalculationMode, $SkipValuesCheck]);
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399 .Ve
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400 .Sp
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401 Returns value of \fICityBlock\fR distance coefficient between two \fIFingerprintsVectors\fR using
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402 optionally specified \fICalculationMode\fR and optional checking of vector values.
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403 .Sp
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404 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default
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405 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR.
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406 .IP "\fBCosineSimilarityCoefficient\fR" 4
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407 .IX Item "CosineSimilarityCoefficient"
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408 .Vb 5
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409 \& $Value = $FingerprintsVector\->CosineSimilarityCoefficient(
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410 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]);
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411 \& $Value = Fingerprints::FingerprintsVector::CosineSimilarityCoefficient(
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412 \& $FingerprintsVectorA, $FingerprintVectorB,
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413 \& [$CalculationMode, $SkipValuesCheck]);
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414 .Ve
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415 .Sp
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416 Returns value of \fICosine\fR similarity coefficient between two \fIFingerprintsVectors\fR using
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417 optionally specified \fICalculationMode\fR and optional checking of vector values.
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418 .Sp
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419 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default
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420 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR.
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421 .IP "\fBCzekanowskiSimilarityCoefficient\fR" 4
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422 .IX Item "CzekanowskiSimilarityCoefficient"
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423 .Vb 5
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424 \& $Value = $FingerprintsVector\->CzekanowskiSimilarityCoefficient(
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425 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]);
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426 \& $Value = Fingerprints::FingerprintsVector::CzekanowskiSimilarityCoefficient(
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427 \& $FingerprintsVectorA, $FingerprintVectorB,
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428 \& [$CalculationMode, $SkipValuesCheck]);
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429 .Ve
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430 .Sp
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431 Returns value of \fICzekanowski\fR similarity coefficient between two \fIFingerprintsVectors\fR using
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432 optionally specified \fICalculationMode\fR and optional checking of vector values.
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433 .Sp
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434 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default
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435 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR.
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436 .IP "\fBDiceSimilarityCoefficient\fR" 4
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437 .IX Item "DiceSimilarityCoefficient"
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438 .Vb 5
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439 \& $Value = $FingerprintsVector\->DiceSimilarityCoefficient(
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440 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]);
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441 \& $Value = Fingerprints::FingerprintsVector::DiceSimilarityCoefficient(
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442 \& $FingerprintsVectorA, $FingerprintVectorB,
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443 \& [$CalculationMode, $SkipValuesCheck]);
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444 .Ve
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445 .Sp
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446 Returns value of \fIDice\fR similarity coefficient between two \fIFingerprintsVectors\fR using
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447 optionally specified \fICalculationMode\fR and optional checking of vector values.
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448 .Sp
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449 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default
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450 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR.
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451 .IP "\fBEuclideanDistanceCoefficient\fR" 4
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452 .IX Item "EuclideanDistanceCoefficient"
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453 .Vb 5
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454 \& $Value = $FingerprintsVector\->EuclideanDistanceCoefficient(
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455 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]);
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456 \& $Value = Fingerprints::FingerprintsVector::EuclideanDistanceCoefficient(
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457 \& $FingerprintsVectorA, $FingerprintVectorB,
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458 \& [$CalculationMode, $SkipValuesCheck]);
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459 .Ve
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460 .Sp
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461 Returns value of \fIEuclidean\fR distance coefficient between two \fIFingerprintsVectors\fR using
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462 optionally specified \fICalculationMode\fR and optional checking of vector values.
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463 .Sp
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464 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default
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465 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR.
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466 .IP "\fBGetDescription\fR" 4
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467 .IX Item "GetDescription"
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468 .Vb 1
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469 \& $Description = $FingerprintsVector\->GetDescription();
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470 .Ve
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471 .Sp
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472 Returns a string containing description of fingerprints vector.
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473 .IP "\fBGetFingerprintsVectorString\fR" 4
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474 .IX Item "GetFingerprintsVectorString"
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475 .Vb 1
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476 \& $FPString = $FingerprintsVector\->GetFingerprintsVectorString($Format);
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477 .Ve
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478 .Sp
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479 Returns a \fBFingerprintsString\fR containing vector values and/or IDs in \fIFingerprintsVector\fR
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480 corresponding to specified \fIFormat\fR.
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481 .Sp
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482 Possible \fIFormat\fR values: \fIIDsAndValuesString, IDsAndValues, IDsAndValuesPairsString,
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483 IDsAndValuesPairs, ValuesAndIDsString, ValuesAndIDs, ValuesAndIDsPairsString, ValuesAndIDsPairs,
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484 ValueIDsString, ValueIDs, ValuesString, or Values\fR.
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485 .IP "\fBGetID\fR" 4
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486 .IX Item "GetID"
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487 .Vb 1
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488 \& $ID = $FingerprintsVector\->GetID();
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489 .Ve
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490 .Sp
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491 Returns \fI\s-1ID\s0\fR of \fIFingerprintsVector\fR.
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492 .IP "\fBGetVectorType\fR" 4
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493 .IX Item "GetVectorType"
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494 .Vb 1
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495 \& $VectorType = $FingerprintsVector\->GetVectorType();
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496 .Ve
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497 .Sp
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498 Returns \fIVectorType\fR of \fIFingerprintsVector\fR.
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499 .IP "\fBGetIDsAndValuesPairsString\fR" 4
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500 .IX Item "GetIDsAndValuesPairsString"
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501 .Vb 1
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502 \& $IDsValuesPairsString = $FingerprintsVector\->GetIDsAndValuesPairsString();
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503 .Ve
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504 .Sp
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505 Returns \fIFingerprintsVector\fR value IDs and values as space delimited ID/value pair
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506 string.
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507 .IP "\fBGetIDsAndValuesString\fR" 4
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508 .IX Item "GetIDsAndValuesString"
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509 .Vb 1
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510 \& $IDsValuesString = $FingerprintsVector\->GetIDsAndValuesString();
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511 .Ve
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512 .Sp
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513 Returns \fIFingerprintsVector\fR value IDs and values as string containing space delimited IDs followed by
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514 values with semicolon as IDs and values delimiter.
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515 .IP "\fBGetNumOfNonZeroValues\fR" 4
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516 .IX Item "GetNumOfNonZeroValues"
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517 .Vb 1
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518 \& $NumOfNonZeroValues = $FingerprintsVector\->GetNumOfNonZeroValues();
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519 .Ve
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520 .Sp
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521 Returns number of non-zero values in \fIFingerprintsVector\fR.
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522 .IP "\fBGetNumOfValueIDs\fR" 4
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523 .IX Item "GetNumOfValueIDs"
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524 .Vb 1
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525 \& $NumOfValueIDs = $FingerprintsVector\->GetNumOfValueIDs();
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526 .Ve
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527 .Sp
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528 Returns number of value IDs \fIFingerprintsVector\fR.
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529 .IP "\fBGetNumOfValues\fR" 4
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530 .IX Item "GetNumOfValues"
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531 .Vb 1
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532 \& $NumOfValues = $FingerprintsVector\->GetNumOfValues();
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533 .Ve
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534 .Sp
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535 Returns number of values \fIFingerprintsVector\fR.
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536 .IP "\fBGetSupportedDistanceAndSimilarityCoefficients\fR" 4
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537 .IX Item "GetSupportedDistanceAndSimilarityCoefficients"
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538 .Vb 2
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539 \& @SupportedDistanceAndSimilarityCoefficientsReturn =
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540 \& Fingerprints::FingerprintsVector::GetSupportedDistanceAndSimilarityCoefficients();
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541 .Ve
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542 .Sp
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543 Returns an array containing names of supported distance and similarity coefficients.
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544 .IP "\fBGetSupportedDistanceCoefficients\fR" 4
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545 .IX Item "GetSupportedDistanceCoefficients"
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546 .Vb 2
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547 \& @SupportedDistanceCoefficientsReturn =
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548 \& Fingerprints::FingerprintsVector::GetSupportedDistanceCoefficients();
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549 .Ve
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550 .Sp
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551 Returns an array containing names of supported disyance coefficients.
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552 .IP "\fBGetSupportedSimilarityCoefficients\fR" 4
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553 .IX Item "GetSupportedSimilarityCoefficients"
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554 .Vb 2
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555 \& @SupportedSimilarityCoefficientsReturn =
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556 \& Fingerprints::FingerprintsVector::GetSupportedSimilarityCoefficients();
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557 .Ve
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558 .Sp
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559 Returns an array containing names of supported similarity coefficients.
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560 .IP "\fBGetType\fR" 4
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561 .IX Item "GetType"
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562 .Vb 1
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563 \& $VectorType = $FingerprintsVector\->GetType();
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564 .Ve
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565 .Sp
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566 Returns \fIFingerprintsVector\fR vector type.
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567 .IP "\fBGetValue\fR" 4
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568 .IX Item "GetValue"
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569 .Vb 1
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570 \& $Value = $FingerprintsVector\->GetValue($Index);
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571 .Ve
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572 .Sp
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573 Returns fingerprints vector \fBValue\fR specified using \fIIndex\fR starting at 0.
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574 .IP "\fBGetValueID\fR" 4
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575 .IX Item "GetValueID"
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576 .Vb 1
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577 \& $ValueID = $FingerprintsVector\->GetValueID();
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578 .Ve
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579 .Sp
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580 Returns fingerprints vector \fBValueID\fR specified using \fIIndex\fR starting at 0.
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581 .IP "\fBGetValueIDs\fR" 4
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582 .IX Item "GetValueIDs"
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583 .Vb 2
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584 \& $ValueIDs = $FingerprintsVector\->GetValueIDs();
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585 \& @ValueIDs = $FingerprintsVector\->GetValueIDs();
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586 .Ve
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587 .Sp
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588 Returns fingerprints vector \fBValueIDs\fR as an array or reference to an array.
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589 .IP "\fBGetValueIDsString\fR" 4
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590 .IX Item "GetValueIDsString"
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591 .Vb 1
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592 \& $ValueIDsString = $FingerprintsVector\->GetValueIDsString();
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593 .Ve
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594 .Sp
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595 Returns fingerprints vector \fBValueIDsString\fR with value IDs delimited by space.
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|
596 .IP "\fBGetValues\fR" 4
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597 .IX Item "GetValues"
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598 .Vb 2
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599 \& $ValuesRef = $FingerprintsVector\->GetValues();
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600 \& @Values = $FingerprintsVector\->GetValues();
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601 .Ve
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602 .Sp
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603 Returns fingerprints vector \fBValues\fR as an array or reference to an array.
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|
604 .IP "\fBGetValuesAndIDsPairsString\fR" 4
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605 .IX Item "GetValuesAndIDsPairsString"
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606 .Vb 1
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|
607 \& $ValuesIDsPairsString = $FingerprintsVector\->GetValuesAndIDsPairsString();
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608 .Ve
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609 .Sp
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|
610 Returns \fIFingerprintsVector\fR value and value IDs as space delimited ID/value pair
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|
|
611 string.
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|
612 .IP "\fBGetValuesAndIDsString\fR" 4
|
|
|
613 .IX Item "GetValuesAndIDsString"
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|
|
614 .Vb 1
|
|
|
615 \& $ValuesIDsString = $FingerprintsVector\->GetValuesAndIDsString();
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616 .Ve
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617 .Sp
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618 Returns \fIFingerprintsVector\fR values and value IDs as string containing space delimited IDs followed by
|
|
|
619 values with semicolon as IDs and values delimiter.
|
|
|
620 .IP "\fBGetValuesString\fR" 4
|
|
|
621 .IX Item "GetValuesString"
|
|
|
622 .Vb 1
|
|
|
623 \& $Return = $FingerprintsVector\->GetValuesString();
|
|
|
624 .Ve
|
|
|
625 .Sp
|
|
|
626 Returns \fIFingerprintsVector\fR values as space delimited string.
|
|
|
627 .IP "\fBHammingDistanceCoefficient\fR" 4
|
|
|
628 .IX Item "HammingDistanceCoefficient"
|
|
|
629 .Vb 5
|
|
|
630 \& $Value = $FingerprintsVector\->HammingDistanceCoefficient(
|
|
|
631 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]);
|
|
|
632 \& $Value = Fingerprints::FingerprintsVector::HammingDistanceCoefficient(
|
|
|
633 \& $FingerprintsVectorA, $FingerprintVectorB,
|
|
|
634 \& [$CalculationMode, $SkipValuesCheck]);
|
|
|
635 .Ve
|
|
|
636 .Sp
|
|
|
637 Returns value of \fIHamming\fR distance coefficient between two \fIFingerprintsVectors\fR using
|
|
|
638 optionally specified \fICalculationMode\fR and optional checking of vector values.
|
|
|
639 .Sp
|
|
|
640 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default
|
|
|
641 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR.
|
|
|
642 .IP "\fBIsFingerprintsVector\fR" 4
|
|
|
643 .IX Item "IsFingerprintsVector"
|
|
|
644 .Vb 1
|
|
|
645 \& $Status = Fingerprints::FingerprintsVector::IsFingerprintsVector($Object);
|
|
|
646 .Ve
|
|
|
647 .Sp
|
|
|
648 Returns 1 or 0 based on whether \fIObject\fR is a \fIFingerprintsVector\fR.
|
|
|
649 .IP "\fBJaccardSimilarityCoefficient\fR" 4
|
|
|
650 .IX Item "JaccardSimilarityCoefficient"
|
|
|
651 .Vb 5
|
|
|
652 \& $Value = $FingerprintsVector\->JaccardSimilarityCoefficient(
|
|
|
653 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]);
|
|
|
654 \& $Value = Fingerprints::FingerprintsVector::JaccardSimilarityCoefficient(
|
|
|
655 \& $FingerprintsVectorA, $FingerprintVectorB,
|
|
|
656 \& [$CalculationMode, $SkipValuesCheck]);
|
|
|
657 .Ve
|
|
|
658 .Sp
|
|
|
659 Returns value of \fIJaccard\fR similarity coefficient between two \fIFingerprintsVectors\fR using
|
|
|
660 optionally specified \fICalculationMode\fR and optional checking of vector values.
|
|
|
661 .Sp
|
|
|
662 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default
|
|
|
663 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR.
|
|
|
664 .IP "\fBManhattanDistanceCoefficient\fR" 4
|
|
|
665 .IX Item "ManhattanDistanceCoefficient"
|
|
|
666 .Vb 5
|
|
|
667 \& $Value = $FingerprintsVector\->ManhattanDistanceCoefficient(
|
|
|
668 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]);
|
|
|
669 \& $Value = Fingerprints::FingerprintsVector::ManhattanDistanceCoefficient(
|
|
|
670 \& $FingerprintsVectorA, $FingerprintVectorB,
|
|
|
671 \& [$CalculationMode, $SkipValuesCheck]);
|
|
|
672 .Ve
|
|
|
673 .Sp
|
|
|
674 Returns value of \fIManhattan\fR distance coefficient between two \fIFingerprintsVectors\fR using
|
|
|
675 optionally specified \fICalculationMode\fR and optional checking of vector values.
|
|
|
676 .Sp
|
|
|
677 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default
|
|
|
678 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR.
|
|
|
679 .IP "\fBNewFromIDsAndValuesPairsString\fR" 4
|
|
|
680 .IX Item "NewFromIDsAndValuesPairsString"
|
|
|
681 .Vb 4
|
|
|
682 \& $FingerprintsVector = $FingerprintsVector\->NewFromIDsAndValuesPairsString(
|
|
|
683 \& $ValuesType, $IDsAndValuesPairsString);
|
|
|
684 \& $FingerprintsVector = Fingerprints::FingerprintsVector::NewFromIDsAndValuesPairsString(
|
|
|
685 \& $ValuesType, $IDsAndValuesPairsString);
|
|
|
686 .Ve
|
|
|
687 .Sp
|
|
|
688 Creates a new \fIFingerprintsVector\fR of \fIValuesType\fR using \fIIDsAndValuesPairsString\fR containing
|
|
|
689 space delimited value IDs and values pairs and returns new \fBFingerprintsVector\fR object.
|
|
|
690 Possible \fIValuesType\fR values: \fIOrderedNumericalValues, NumericalValues, or AlphaNumericalValues\fR.
|
|
|
691 .IP "\fBNewFromIDsAndValuesString\fR" 4
|
|
|
692 .IX Item "NewFromIDsAndValuesString"
|
|
|
693 .Vb 4
|
|
|
694 \& $FingerprintsVector = $FingerprintsVector\->NewFromIDsAndValuesString(
|
|
|
695 \& $ValuesType, $IDsAndValuesString);
|
|
|
696 \& $FingerprintsVector = Fingerprints::FingerprintsVector::NewFromIDsAndValuesString(
|
|
|
697 \& $ValuesType, $IDsAndValuesString);
|
|
|
698 .Ve
|
|
|
699 .Sp
|
|
|
700 Creates a new \fIFingerprintsVector\fR of \fIValuesType\fR using \fIIDsAndValuesString\fR containing
|
|
|
701 semicolon delimited value IDs string followed by values strings and returns new \fBFingerprintsVector\fR
|
|
|
702 object. The values within value and value IDs tring are delimited by spaces. Possible \fIValuesType\fR
|
|
|
703 values: \fIOrderedNumericalValues, NumericalValues, or AlphaNumericalValues\fR.
|
|
|
704 .IP "\fBNewFromValuesAndIDsPairsString\fR" 4
|
|
|
705 .IX Item "NewFromValuesAndIDsPairsString"
|
|
|
706 .Vb 4
|
|
|
707 \& $FingerprintsVector = $FingerprintsVector\->NewFromValuesAndIDsPairsString(
|
|
|
708 \& $ValuesType, $ValuesAndIDsPairsString);
|
|
|
709 \& $FingerprintsVector = Fingerprints::FingerprintsVector::NewFromValuesAndIDsPairsString(
|
|
|
710 \& $ValuesType, $ValuesAndIDsPairsString);
|
|
|
711 .Ve
|
|
|
712 .Sp
|
|
|
713 Creates a new \fIFingerprintsVector\fR of \fIValuesType\fR using \fIValuesAndIDsPairsString\fR containing
|
|
|
714 space delimited value and value IDs pairs and returns new \fBFingerprintsVector\fR object.
|
|
|
715 Possible \fIValuesType\fR values: \fIOrderedNumericalValues, NumericalValues, or AlphaNumericalValues\fR.
|
|
|
716 .IP "\fBNewFromValuesAndIDsString\fR" 4
|
|
|
717 .IX Item "NewFromValuesAndIDsString"
|
|
|
718 .Vb 4
|
|
|
719 \& $FingerprintsVector = $FingerprintsVector\->NewFromValuesAndIDsString(
|
|
|
720 \& $ValuesType, $IDsAndValuesString);
|
|
|
721 \& $FingerprintsVector = Fingerprints::FingerprintsVector::NewFromValuesAndIDsString(
|
|
|
722 \& $ValuesType, $IDsAndValuesString);
|
|
|
723 .Ve
|
|
|
724 .Sp
|
|
|
725 Creates a new \fIFingerprintsVector\fR of \fIValuesType\fR using \fIValuesAndIDsString\fR containing
|
|
|
726 semicolon delimited values string followed by value IDs strings and returns new \fBFingerprintsVector\fR
|
|
|
727 object. The values within values and value IDs tring are delimited by spaces. Possible \fIValuesType\fR
|
|
|
728 values: \fIOrderedNumericalValues, NumericalValues, or AlphaNumericalValues\fR.
|
|
|
729 .IP "\fBNewFromValuesString\fR" 4
|
|
|
730 .IX Item "NewFromValuesString"
|
|
|
731 .Vb 4
|
|
|
732 \& $FingerprintsVector = $FingerprintsVector\->NewFromValuesString(
|
|
|
733 \& $ValuesType, $ValuesString);
|
|
|
734 \& $FingerprintsVector = Fingerprints::FingerprintsVector::NewFromValuesString(
|
|
|
735 \& $ValuesType, $ValuesString);
|
|
|
736 .Ve
|
|
|
737 .Sp
|
|
|
738 Creates a new \fIFingerprintsVector\fR of \fIValuesType\fR using \fIValuesString\fR containing space
|
|
|
739 delimited values string and returns new \fBFingerprintsVector\fR object. The values within values
|
|
|
740 and value IDs tring are delimited by spaces. Possible \fIValuesType\fR values: \fIOrderedNumericalValues,
|
|
|
741 NumericalValues, or AlphaNumericalValues\fR.
|
|
|
742 .IP "\fBOchiaiSimilarityCoefficient\fR" 4
|
|
|
743 .IX Item "OchiaiSimilarityCoefficient"
|
|
|
744 .Vb 5
|
|
|
745 \& $Value = $FingerprintsVector\->OchiaiSimilarityCoefficient(
|
|
|
746 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]);
|
|
|
747 \& $Value = Fingerprints::FingerprintsVector::OchiaiSimilarityCoefficient(
|
|
|
748 \& $FingerprintsVectorA, $FingerprintVectorB,
|
|
|
749 \& [$CalculationMode, $SkipValuesCheck]);
|
|
|
750 .Ve
|
|
|
751 .Sp
|
|
|
752 Returns value of \fIOchiai\fR similarity coefficient between two \fIFingerprintsVectors\fR using
|
|
|
753 optionally specified \fICalculationMode\fR and optional checking of vector values.
|
|
|
754 .Sp
|
|
|
755 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default
|
|
|
756 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR.
|
|
|
757 .IP "\fBSetDescription\fR" 4
|
|
|
758 .IX Item "SetDescription"
|
|
|
759 .Vb 1
|
|
|
760 \& $FingerprintsVector\->SetDescription($Description);
|
|
|
761 .Ve
|
|
|
762 .Sp
|
|
|
763 Sets \fIDescription\fR of fingerprints vector and returns \fIFingerprintsVector\fR.
|
|
|
764 .IP "\fBSetID\fR" 4
|
|
|
765 .IX Item "SetID"
|
|
|
766 .Vb 1
|
|
|
767 \& $FingerprintsVector\->SetID($ID);
|
|
|
768 .Ve
|
|
|
769 .Sp
|
|
|
770 Sets \fI\s-1ID\s0\fR of fingerprints vector and returns \fIFingerprintsVector\fR.
|
|
|
771 .IP "\fBSetVectorType\fR" 4
|
|
|
772 .IX Item "SetVectorType"
|
|
|
773 .Vb 1
|
|
|
774 \& $FingerprintsVector\->SetVectorType($VectorType);
|
|
|
775 .Ve
|
|
|
776 .Sp
|
|
|
777 Sets \fIVectorType\fR of fingerprints vector and returns \fIFingerprintsVector\fR.
|
|
|
778 .IP "\fBSetType\fR" 4
|
|
|
779 .IX Item "SetType"
|
|
|
780 .Vb 1
|
|
|
781 \& $FingerprintsVector\->SetType($Type);
|
|
|
782 .Ve
|
|
|
783 .Sp
|
|
|
784 Sets \fIFingerprintsVector\fR values \fIType\fR and returns \fIFingerprintsVector\fR. Possible \fIType\fR
|
|
|
785 values: \fIOrderedNumericalValues, NumericalValues, or AlphaNumericalValues\fR.
|
|
|
786 .Sp
|
|
|
787 During calculation of similarity and distance coefficients between two \fIFingerprintsVectors\fR, the
|
|
|
788 following conditions apply to vector type, size, value and value IDs:
|
|
|
789 .Sp
|
|
|
790 .Vb 2
|
|
|
791 \& o For OrderedNumericalValues type, both vectors must be of the same size
|
|
|
792 \& and contain similar types of numerical values in the same order.
|
|
|
793 \&
|
|
|
794 \& o For NumericalValues type, vector value IDs for both vectors must be
|
|
|
795 \& specified; however, their size and order of IDs and numerical values may
|
|
|
796 \& be different. For each vector, value IDs must correspond to vector values.
|
|
|
797 \&
|
|
|
798 \& o For AlphaNumericalValues type, vectors may contain both numerical and
|
|
|
799 \& alphanumerical values and their sizes may be different.
|
|
|
800 .Ve
|
|
|
801 .IP "\fBSetValue\fR" 4
|
|
|
802 .IX Item "SetValue"
|
|
|
803 .Vb 1
|
|
|
804 \& $FingerprintsVector\->SetValue($Index, $Value, [$SkipIndexCheck]);
|
|
|
805 .Ve
|
|
|
806 .Sp
|
|
|
807 Sets a \fIFingerprintsVector\fR value specified by \fIIndex\fR starting at 0 to \fIValue\fR along with
|
|
|
808 optional index range check and returns \fIFingerprintsVector\fR.
|
|
|
809 .IP "\fBSetValueID\fR" 4
|
|
|
810 .IX Item "SetValueID"
|
|
|
811 .Vb 1
|
|
|
812 \& $FingerprintsVector\->SetValueID($Index, $ValueID, [$SkipIndexCheck]);
|
|
|
813 .Ve
|
|
|
814 .Sp
|
|
|
815 Sets a \fIFingerprintsVector\fR value \s-1ID\s0 specified by \fIIndex\fR starting at 0 to \fIValueID\fR along with
|
|
|
816 optional index range check and returns \fIFingerprintsVector\fR.
|
|
|
817 .IP "\fBSetValueIDs\fR" 4
|
|
|
818 .IX Item "SetValueIDs"
|
|
|
819 .Vb 2
|
|
|
820 \& $FingerprintsVector\->SetValueIDs($ValueIDsRef);
|
|
|
821 \& $FingerprintsVector\->SetValueIDs(@ValueIDs);
|
|
|
822 .Ve
|
|
|
823 .Sp
|
|
|
824 Sets \fIFingerprintsVector\fR value IDs to specified \fIValueIDs\fR and returns \fIFingerprintsVector\fR.
|
|
|
825 .IP "\fBSetValues\fR" 4
|
|
|
826 .IX Item "SetValues"
|
|
|
827 .Vb 2
|
|
|
828 \& $FingerprintsVector\->SetValues($ValuesRef);
|
|
|
829 \& $FingerprintsVector\->SetValues(@Values);
|
|
|
830 .Ve
|
|
|
831 .Sp
|
|
|
832 Sets \fIFingerprintsVector\fR value to specified \fIValues\fR and returns \fIFingerprintsVector\fR.
|
|
|
833 .IP "\fBSoergelDistanceCoefficient\fR" 4
|
|
|
834 .IX Item "SoergelDistanceCoefficient"
|
|
|
835 .Vb 5
|
|
|
836 \& $Value = $FingerprintsVector\->SoergelDistanceCoefficient(
|
|
|
837 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]);
|
|
|
838 \& $Value = Fingerprints::FingerprintsVector::SoergelDistanceCoefficient(
|
|
|
839 \& $FingerprintsVectorA, $FingerprintVectorB,
|
|
|
840 \& [$CalculationMode, $SkipValuesCheck]);
|
|
|
841 .Ve
|
|
|
842 .Sp
|
|
|
843 Returns value of \fISoergel\fR distance coefficient between two \fIFingerprintsVectors\fR using
|
|
|
844 optionally specified \fICalculationMode\fR and optional checking of vector values.
|
|
|
845 .Sp
|
|
|
846 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default
|
|
|
847 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR.
|
|
|
848 .IP "\fBSorensonSimilarityCoefficient\fR" 4
|
|
|
849 .IX Item "SorensonSimilarityCoefficient"
|
|
|
850 .Vb 5
|
|
|
851 \& $Value = $FingerprintsVector\->SorensonSimilarityCoefficient(
|
|
|
852 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]);
|
|
|
853 \& $Value = Fingerprints::FingerprintsVector::SorensonSimilarityCoefficient(
|
|
|
854 \& $FingerprintsVectorA, $FingerprintVectorB,
|
|
|
855 \& [$CalculationMode, $SkipValuesCheck]);
|
|
|
856 .Ve
|
|
|
857 .Sp
|
|
|
858 Returns value of \fISorenson\fR similarity coefficient between two \fIFingerprintsVectors\fR using
|
|
|
859 optionally specified \fICalculationMode\fR and optional checking of vector values.
|
|
|
860 .Sp
|
|
|
861 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default
|
|
|
862 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR.
|
|
|
863 .IP "\fBTanimotoSimilarityCoefficient\fR" 4
|
|
|
864 .IX Item "TanimotoSimilarityCoefficient"
|
|
|
865 .Vb 5
|
|
|
866 \& $Value = $FingerprintsVector\->TanimotoSimilarityCoefficient(
|
|
|
867 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]);
|
|
|
868 \& $Value = Fingerprints::FingerprintsVector::TanimotoSimilarityCoefficient(
|
|
|
869 \& $FingerprintsVectorA, $FingerprintVectorB,
|
|
|
870 \& [$CalculationMode, $SkipValuesCheck]);
|
|
|
871 .Ve
|
|
|
872 .Sp
|
|
|
873 Returns value of \fITanimoto\fR similarity coefficient between two \fIFingerprintsVectors\fR using
|
|
|
874 optionally specified \fICalculationMode\fR and optional checking of vector values.
|
|
|
875 .Sp
|
|
|
876 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default
|
|
|
877 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR.
|
|
|
878 .IP "\fBStringifyFingerprintsVector\fR" 4
|
|
|
879 .IX Item "StringifyFingerprintsVector"
|
|
|
880 .Vb 1
|
|
|
881 \& $String = $FingerprintsVector\->StringifyFingerprintsVector();
|
|
|
882 .Ve
|
|
|
883 .Sp
|
|
|
884 Returns a string containing information about \fIFingerprintsVector\fR object.
|
|
|
885 .SH "AUTHOR"
|
|
|
886 .IX Header "AUTHOR"
|
|
|
887 Manish Sud <msud@san.rr.com>
|
|
|
888 .SH "SEE ALSO"
|
|
|
889 .IX Header "SEE ALSO"
|
|
|
890 BitVector.pm, FingerprintsStringUtil.pm, FingerprintsBitVector.pm, Vector.pm
|
|
|
891 .SH "COPYRIGHT"
|
|
|
892 .IX Header "COPYRIGHT"
|
|
|
893 Copyright (C) 2015 Manish Sud. All rights reserved.
|
|
|
894 .PP
|
|
|
895 This file is part of MayaChemTools.
|
|
|
896 .PP
|
|
|
897 MayaChemTools is free software; you can redistribute it and/or modify it under
|
|
|
898 the terms of the \s-1GNU\s0 Lesser General Public License as published by the Free
|
|
|
899 Software Foundation; either version 3 of the License, or (at your option)
|
|
|
900 any later version.
|
