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| date | Wed, 20 Jan 2016 09:23:18 -0500 |
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| 124 .\" ======================================================================== | |
| 125 .\" | |
| 126 .IX Title "FINGERPRINTSBITVECTOR 1" | |
| 127 .TH FINGERPRINTSBITVECTOR 1 "2015-03-29" "perl v5.14.2" "MayaChemTools" | |
| 128 .\" For nroff, turn off justification. Always turn off hyphenation; it makes | |
| 129 .\" way too many mistakes in technical documents. | |
| 130 .if n .ad l | |
| 131 .nh | |
| 132 .SH "NAME" | |
| 133 FingerprintsBitVector | |
| 134 .SH "SYNOPSIS" | |
| 135 .IX Header "SYNOPSIS" | |
| 136 use Fingerprints::FingerprintsBitVector; | |
| 137 .PP | |
| 138 use Fingerprints::FingerprintsBitVector qw(:coefficients); | |
| 139 .PP | |
| 140 use Fingerprints::FingerprintsBitVector qw(:all); | |
| 141 .SH "DESCRIPTION" | |
| 142 .IX Header "DESCRIPTION" | |
| 143 \&\fBFingerprintsBitVector\fR class provides the following methods: | |
| 144 .PP | |
| 145 new, BaroniUrbaniSimilarityCoefficient, BuserSimilarityCoefficient, | |
| 146 CosineSimilarityCoefficient, DennisSimilarityCoefficient, | |
| 147 DiceSimilarityCoefficient, FoldFingerprintsBitVectorByDensity, | |
| 148 FoldFingerprintsBitVectorBySize, ForbesSimilarityCoefficient, | |
| 149 FossumSimilarityCoefficient, GetBitsAsBinaryString, GetBitsAsDecimalString, | |
| 150 GetBitsAsHexadecimalString, GetBitsAsOctalString, GetBitsAsRawBinaryString, | |
| 151 GetDescription, GetFingerprintsBitDensity, GetID, GetSpecifiedSize, | |
| 152 GetSupportedSimilarityCoefficients, GetVectorType, HamannSimilarityCoefficient, | |
| 153 IsFingerprintsBitVector, IsSubSet, JacardSimilarityCoefficient, | |
| 154 Kulczynski1SimilarityCoefficient, Kulczynski2SimilarityCoefficient, | |
| 155 MatchingSimilarityCoefficient, McConnaugheySimilarityCoefficient, | |
| 156 NewFromBinaryString, NewFromDecimalString, NewFromHexadecimalString, | |
| 157 NewFromOctalString, NewFromRawBinaryString, OchiaiSimilarityCoefficient, | |
| 158 PearsonSimilarityCoefficient, RogersTanimotoSimilarityCoefficient, | |
| 159 RussellRaoSimilarityCoefficient, SetDescription, SetID, SetSpecifiedSize, | |
| 160 SetVectorType, SimpsonSimilarityCoefficient, SkoalSneath1SimilarityCoefficient, | |
| 161 SkoalSneath2SimilarityCoefficient, SkoalSneath3SimilarityCoefficient, | |
| 162 StringifyFingerprintsBitVector, TanimotoSimilarityCoefficient, | |
| 163 TverskySimilarityCoefficient, WeightedTanimotoSimilarityCoefficient, | |
| 164 WeightedTverskySimilarityCoefficient, YuleSimilarityCoefficient | |
| 165 .PP | |
| 166 The methods available to create fingerprints bit vector from strings and to calculate similarity | |
| 167 coefficient between two bit vectors can also be invoked as class functions. | |
| 168 .PP | |
| 169 \&\fBFingerprintsBitVector\fR class is derived from \fBBitVector\fR class which provides the functionality | |
| 170 to manipulate bits. | |
| 171 .PP | |
| 172 For two fingerprints bit vectors A and B of same size, let: | |
| 173 .PP | |
| 174 .Vb 4 | |
| 175 \& Na = Number of bits set to "1" in A | |
| 176 \& Nb = Number of bits set to "1" in B | |
| 177 \& Nc = Number of bits set to "1" in both A and B | |
| 178 \& Nd = Number of bits set to "0" in both A and B | |
| 179 \& | |
| 180 \& Nt = Number of bits set to "1" or "0" in A or B (Size of A or B) | |
| 181 \& Nt = Na + Nb \- Nc + Nd | |
| 182 \& | |
| 183 \& Na \- Nc = Number of bits set to "1" in A but not in B | |
| 184 \& Nb \- Nc = Number of bits set to "1" in B but not in A | |
| 185 .Ve | |
| 186 .PP | |
| 187 Then, various similarity coefficients [ Ref. 40 \- 42 ] for a pair of bit vectors A and B are | |
| 188 defined as follows: | |
| 189 .PP | |
| 190 BaroniUrbani: ( \s-1SQRT\s0( Nc * Nd ) + Nc ) / ( \s-1SQRT\s0 ( Nc * Nd ) + Nc + ( Na \- Nc ) + ( Nb \- Nc ) ) ( same as Buser ) | |
| 191 .PP | |
| 192 Buser: ( \s-1SQRT\s0 ( Nc * Nd ) + Nc ) / ( \s-1SQRT\s0 ( Nc * Nd ) + Nc + ( Na \- Nc ) + ( Nb \- Nc ) ) ( same as BaroniUrbani ) | |
| 193 .PP | |
| 194 Cosine: Nc / \s-1SQRT\s0 ( Na * Nb ) (same as Ochiai) | |
| 195 .PP | |
| 196 Dice: (2 * Nc) / ( Na + Nb ) | |
| 197 .PP | |
| 198 Dennis: ( Nc * Nd \- ( ( Na \- Nc ) * ( Nb \- Nc ) ) ) / \s-1SQRT\s0 ( Nt * Na * Nb) | |
| 199 .PP | |
| 200 Forbes: ( Nt * Nc ) / ( Na * Nb ) | |
| 201 .PP | |
| 202 Fossum: ( Nt * ( ( Nc \- 1/2 ) ** 2 ) / ( Na * Nb ) | |
| 203 .PP | |
| 204 Hamann: ( ( Nc + Nd ) \- ( Na \- Nc ) \- ( Nb \- Nc ) ) / Nt | |
| 205 .PP | |
| 206 Jaccard: Nc / ( ( Na \- Nc) + ( Nb \- Nc ) + Nc ) = Nc / ( Na + Nb \- Nc ) (same as Tanimoto) | |
| 207 .PP | |
| 208 Kulczynski1: Nc / ( ( Na \- Nc ) + ( Nb \- Nc) ) = Nc / ( Na + Nb \- 2Nc ) | |
| 209 .PP | |
| 210 Kulczynski2: ( ( Nc / 2 ) * ( 2 * Nc + ( Na \- Nc ) + ( Nb \- Nc) ) ) / ( ( Nc + ( Na \- Nc ) ) * ( Nc + ( Nb \- Nc ) ) ) | |
| 211 = 0.5 * ( Nc / Na + Nc / Nb ) | |
| 212 .PP | |
| 213 Matching: ( Nc + Nd ) / Nt | |
| 214 .PP | |
| 215 McConnaughey: ( Nc ** 2 \- ( Na \- Nc ) * ( Nb \- Nc) ) / ( Na * Nb ) | |
| 216 .PP | |
| 217 Ochiai: Nc / \s-1SQRT\s0 ( Na * Nb ) (same as Cosine) | |
| 218 .PP | |
| 219 Pearson: ( ( Nc * Nd ) \- ( ( Na \- Nc ) * ( Nb \- Nc ) ) / \s-1SQRT\s0 ( Na * Nb * ( Na \- Nc + Nd ) * ( Nb \- Nc + Nd ) ) | |
| 220 .PP | |
| 221 RogersTanimoto: ( Nc + Nd ) / ( ( Na \- Nc) + ( Nb \- Nc) + Nt) = ( Nc + Nd ) / ( Na + Nb \- 2Nc + Nt) | |
| 222 .PP | |
| 223 RussellRao: Nc / Nt | |
| 224 .PP | |
| 225 Simpson: Nc / \s-1MIN\s0 ( Na, Nb) | |
| 226 .PP | |
| 227 SkoalSneath1: Nc / ( Nc + 2 * ( Na \- Nc) + 2 * ( Nb \- Nc) ) = Nc / ( 2 * Na + 2 * Nb \- 3 * Nc ) | |
| 228 .PP | |
| 229 SkoalSneath2: ( 2 * Nc + 2 * Nd ) / ( Nc + Nd + Nt ) | |
| 230 .PP | |
| 231 SkoalSneath3: ( Nc + Nd ) / ( ( Na \- Nc ) + ( Nb \- Nc ) ) = ( Nc + Nd ) / ( Na + Nb \- 2 * Nc ) | |
| 232 .PP | |
| 233 Tanimoto: Nc / ( ( Na \- Nc) + ( Nb \- Nc ) + Nc ) = Nc / ( Na + Nb \- Nc ) (same as Jaccard) | |
| 234 .PP | |
| 235 Tversky: Nc / ( alpha * ( Na \- Nc ) + ( 1 \- alpha) * ( Nb \- Nc) + Nc ) = Nc / ( alpha * ( Na \- Nb ) + Nb) | |
| 236 .PP | |
| 237 Yule: ( ( Nc * Nd ) \- ( ( Na \- Nc ) * ( Nb \- Nc ) ) ) / ( ( Nc * Nd ) + ( ( Na \- Nc ) * ( Nb \- Nc ) ) ) | |
| 238 .PP | |
| 239 The values of Tanimoto/Jaccard and Tversky coefficients are dependent on only those bit which | |
| 240 are set to \*(L"1\*(R" in both A and B. In order to take into account all bit positions, modified versions | |
| 241 of Tanimoto [ Ref. 42 ] and Tversky [ Ref. 43 ] have been developed. | |
| 242 .PP | |
| 243 Let: | |
| 244 .PP | |
| 245 .Vb 3 | |
| 246 \& Na\*(Aq = Number of bits set to "0" in A | |
| 247 \& Nb\*(Aq = Number of bits set to "0" in B | |
| 248 \& Nc\*(Aq = Number of bits set to "0" in both A and B | |
| 249 .Ve | |
| 250 .PP | |
| 251 Tanimoto': Nc' / ( ( Na' \- Nc') + ( Nb' \- Nc' ) + Nc' ) = Nc' / ( Na' + Nb' \- Nc' ) | |
| 252 .PP | |
| 253 Tversky': Nc' / ( alpha * ( Na' \- Nc' ) + ( 1 \- alpha) * ( Nb' \- Nc' ) + Nc' ) = Nc' / ( alpha * ( Na' \- Nb' ) + Nb') | |
| 254 .PP | |
| 255 Then: | |
| 256 .PP | |
| 257 WeightedTanimoto = beta * Tanimoto + (1 \- beta) * Tanimoto' | |
| 258 .PP | |
| 259 WeightedTversky = beta * Tversky + (1 \- beta) * Tversky' | |
| 260 .SS "\s-1METHODS\s0" | |
| 261 .IX Subsection "METHODS" | |
| 262 .IP "\fBnew\fR" 4 | |
| 263 .IX Item "new" | |
| 264 .Vb 1 | |
| 265 \& $NewFPBitVector = new Fingerprints::FingerprintsBitVector($Size); | |
| 266 .Ve | |
| 267 .Sp | |
| 268 Creates a new \fIFingerprintsBitVector\fR object of size \fISize\fR and returns newly created | |
| 269 \&\fBFingerprintsBitVector\fR. Bit numbers range from 0 to 1 less than \fISize\fR. | |
| 270 .IP "\fBBaroniUrbaniSimilarityCoefficient\fR" 4 | |
| 271 .IX Item "BaroniUrbaniSimilarityCoefficient" | |
| 272 .Vb 5 | |
| 273 \& $Value = $FingerprintsBitVector\->BaroniUrbaniSimilarityCoefficient( | |
| 274 \& $OtherFingerprintBitVector); | |
| 275 \& $Value = Fingerprints::FingerprintsBitVector:: | |
| 276 \& BaroniUrbaniSimilarityCoefficient( | |
| 277 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 278 .Ve | |
| 279 .Sp | |
| 280 Returns value of \fIBaroniUrbani\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 281 .IP "\fBBuserSimilarityCoefficient\fR" 4 | |
| 282 .IX Item "BuserSimilarityCoefficient" | |
| 283 .Vb 4 | |
| 284 \& $Value = $FingerprintsBitVector\->BuserSimilarityCoefficient( | |
| 285 \& $OtherFingerprintBitVector); | |
| 286 \& $Value = Fingerprints::FingerprintsBitVector::BuserSimilarityCoefficient( | |
| 287 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 288 .Ve | |
| 289 .Sp | |
| 290 Returns value of \fIBuser\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 291 .IP "\fBCosineSimilarityCoefficient\fR" 4 | |
| 292 .IX Item "CosineSimilarityCoefficient" | |
| 293 .Vb 4 | |
| 294 \& $Value = $FingerprintsBitVector\->CosineSimilarityCoefficient( | |
| 295 \& $OtherFingerprintBitVector); | |
| 296 \& $Value = Fingerprints::FingerprintsBitVector::CosineSimilarityCoefficient( | |
| 297 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 298 .Ve | |
| 299 .Sp | |
| 300 Returns value of \fICosine\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 301 .IP "\fBDennisSimilarityCoefficient\fR" 4 | |
| 302 .IX Item "DennisSimilarityCoefficient" | |
| 303 .Vb 4 | |
| 304 \& $Value = $FingerprintsBitVector\->DennisSimilarityCoefficient( | |
| 305 \& $OtherFingerprintBitVector); | |
| 306 \& $Value = Fingerprints::FingerprintsBitVector::DennisSimilarityCoefficient( | |
| 307 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 308 .Ve | |
| 309 .Sp | |
| 310 Returns value of \fIDennis\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 311 .IP "\fBDiceSimilarityCoefficient\fR" 4 | |
| 312 .IX Item "DiceSimilarityCoefficient" | |
| 313 .Vb 4 | |
| 314 \& $Value = $FingerprintsBitVector\->DiceSimilarityCoefficient( | |
| 315 \& $OtherFingerprintBitVector); | |
| 316 \& $Value = Fingerprints::FingerprintsBitVector::DiceSimilarityCoefficient( | |
| 317 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 318 .Ve | |
| 319 .Sp | |
| 320 Returns value of \fIDice\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 321 .IP "\fBFoldFingerprintsBitVectorByDensity\fR" 4 | |
| 322 .IX Item "FoldFingerprintsBitVectorByDensity" | |
| 323 .Vb 1 | |
| 324 \& $FingerprintsBitVector\->FoldFingerprintsBitVectorByDensity($Density); | |
| 325 .Ve | |
| 326 .Sp | |
| 327 Folds \fIFingerprintsBitVector\fR by recursively reducing its size by half until bit density of set bits is | |
| 328 greater than or equal to specified \fIDensity\fR and returns folded \fIFingerprintsBitVector\fR. | |
| 329 .IP "\fBFoldFingerprintsBitVectorBySize\fR" 4 | |
| 330 .IX Item "FoldFingerprintsBitVectorBySize" | |
| 331 .Vb 1 | |
| 332 \& $FingerprintsBitVector\->FoldFingerprintsBitVectorBySize($Size); | |
| 333 .Ve | |
| 334 .Sp | |
| 335 Folds \fIFingerprintsBitVector\fR by recursively reducing its size by half until size is less than or equal to | |
| 336 specified \fISize\fR and returns folded \fIFingerprintsBitVector\fR. | |
| 337 .IP "\fBForbesSimilarityCoefficient\fR" 4 | |
| 338 .IX Item "ForbesSimilarityCoefficient" | |
| 339 .Vb 4 | |
| 340 \& $Value = $FingerprintsBitVector\->ForbesSimilarityCoefficient( | |
| 341 \& $OtherFingerprintBitVector); | |
| 342 \& $Value = Fingerprints::FingerprintsBitVector::ForbesSimilarityCoefficient( | |
| 343 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 344 .Ve | |
| 345 .Sp | |
| 346 Returns value of \fIForbes\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 347 .IP "\fBFossumSimilarityCoefficient\fR" 4 | |
| 348 .IX Item "FossumSimilarityCoefficient" | |
| 349 .Vb 4 | |
| 350 \& $Value = $FingerprintsBitVector\->FossumSimilarityCoefficient( | |
| 351 \& $OtherFingerprintBitVector); | |
| 352 \& $Value = Fingerprints::FingerprintsBitVector::FossumSimilarityCoefficient( | |
| 353 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 354 .Ve | |
| 355 .Sp | |
| 356 Returns value of \fIFossum\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 357 .IP "\fBGetBitsAsBinaryString\fR" 4 | |
| 358 .IX Item "GetBitsAsBinaryString" | |
| 359 .Vb 1 | |
| 360 \& $BinaryASCIIString = $FingerprintsBitVector\->GetBitsAsBinaryString(); | |
| 361 .Ve | |
| 362 .Sp | |
| 363 Returns fingerprints as a binary \s-1ASCII\s0 string containing 0s and 1s. | |
| 364 .IP "\fBGetBitsAsHexadecimalString\fR" 4 | |
| 365 .IX Item "GetBitsAsHexadecimalString" | |
| 366 .Vb 1 | |
| 367 \& $HexadecimalString = $FingerprintsBitVector\->GetBitsAsHexadecimalString(); | |
| 368 .Ve | |
| 369 .Sp | |
| 370 Returns fingerprints as a hexadecimal string. | |
| 371 .IP "\fBGetBitsAsRawBinaryString\fR" 4 | |
| 372 .IX Item "GetBitsAsRawBinaryString" | |
| 373 .Vb 1 | |
| 374 \& $RawBinaryString = $FingerprintsBitVector\->GetBitsAsRawBinaryString(); | |
| 375 .Ve | |
| 376 .Sp | |
| 377 Returns fingerprints as a raw binary string containing packed bit values for each byte. | |
| 378 .IP "\fBGetDescription\fR" 4 | |
| 379 .IX Item "GetDescription" | |
| 380 .Vb 1 | |
| 381 \& $Description = $FingerprintsBitVector\->GetDescription(); | |
| 382 .Ve | |
| 383 .Sp | |
| 384 Returns a string containing description of fingerprints bit vector. | |
| 385 .IP "\fBGetFingerprintsBitDensity\fR" 4 | |
| 386 .IX Item "GetFingerprintsBitDensity" | |
| 387 .Vb 1 | |
| 388 \& $BitDensity = $FingerprintsBitVector\->GetFingerprintsBitDensity(); | |
| 389 .Ve | |
| 390 .Sp | |
| 391 Returns \fIBitDensity\fR of \fIFingerprintsBitVector\fR corresponding to bits set to 1s. | |
| 392 .IP "\fBGetID\fR" 4 | |
| 393 .IX Item "GetID" | |
| 394 .Vb 1 | |
| 395 \& $ID = $FingerprintsBitVector\->GetID(); | |
| 396 .Ve | |
| 397 .Sp | |
| 398 Returns \fI\s-1ID\s0\fR of \fIFingerprintsBitVector\fR. | |
| 399 .IP "\fBGetVectorType\fR" 4 | |
| 400 .IX Item "GetVectorType" | |
| 401 .Vb 1 | |
| 402 \& $VectorType = $FingerprintsBitVector\->GetVectorType(); | |
| 403 .Ve | |
| 404 .Sp | |
| 405 Returns \fIVectorType\fR of \fIFingerprintsBitVector\fR. | |
| 406 .IP "\fBGetSpecifiedSize\fR" 4 | |
| 407 .IX Item "GetSpecifiedSize" | |
| 408 .Vb 1 | |
| 409 \& $Size = $FingerprintsBitVector\->GetSpecifiedSize(); | |
| 410 .Ve | |
| 411 .Sp | |
| 412 Returns value of specified size for bit vector. | |
| 413 .IP "\fBGetSupportedSimilarityCoefficients\fR" 4 | |
| 414 .IX Item "GetSupportedSimilarityCoefficients" | |
| 415 .Vb 2 | |
| 416 \& @SimilarityCoefficient = | |
| 417 \& Fingerprints::FingerprintsBitVector::GetSupportedSimilarityCoefficients(); | |
| 418 .Ve | |
| 419 .Sp | |
| 420 Returns an array containing names of supported similarity coefficients. | |
| 421 .IP "\fBHamannSimilarityCoefficient\fR" 4 | |
| 422 .IX Item "HamannSimilarityCoefficient" | |
| 423 .Vb 4 | |
| 424 \& $Value = $FingerprintsBitVector\->HamannSimilarityCoefficient( | |
| 425 \& $OtherFingerprintBitVector); | |
| 426 \& $Value = Fingerprints::FingerprintsBitVector::HamannSimilarityCoefficient( | |
| 427 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 428 .Ve | |
| 429 .Sp | |
| 430 Returns value of \fIHamann\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 431 .IP "\fBIsFingerprintsBitVector\fR" 4 | |
| 432 .IX Item "IsFingerprintsBitVector" | |
| 433 .Vb 2 | |
| 434 \& $Status = Fingerprints::FingerprintsBitVector:: | |
| 435 \& IsFingerprintsBitVector($Object); | |
| 436 .Ve | |
| 437 .Sp | |
| 438 Returns 1 or 0 based on whether \fIObject\fR is a \fBFingerprintsBitVector\fR object. | |
| 439 .IP "\fBIsSubSet\fR" 4 | |
| 440 .IX Item "IsSubSet" | |
| 441 .Vb 3 | |
| 442 \& $Status = $FingerprintsBitVector\->IsSubSet($OtherFPBitVector); | |
| 443 \& $Status = Fingerprints::FingerprintsBitVector::IsSubSet( | |
| 444 \& $FPBitVectorA, $FPBitVectorB); | |
| 445 .Ve | |
| 446 .Sp | |
| 447 Returns 1 or 0 based on whether first firngerprints bit vector is a subset of second | |
| 448 fingerprints bit vector. | |
| 449 .Sp | |
| 450 For a bit vector to be a subset of another bit vector, both vectors must be of | |
| 451 the same size and the bit positions set in first vector must also be set in the | |
| 452 second bit vector. | |
| 453 .IP "\fBJacardSimilarityCoefficient\fR" 4 | |
| 454 .IX Item "JacardSimilarityCoefficient" | |
| 455 .Vb 4 | |
| 456 \& $Value = $FingerprintsBitVector\->JacardSimilarityCoefficient( | |
| 457 \& $OtherFingerprintBitVector); | |
| 458 \& $Value = Fingerprints::FingerprintsBitVector::JacardSimilarityCoefficient( | |
| 459 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 460 .Ve | |
| 461 .Sp | |
| 462 Returns value of \fIJacard\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 463 .IP "\fBKulczynski1SimilarityCoefficient\fR" 4 | |
| 464 .IX Item "Kulczynski1SimilarityCoefficient" | |
| 465 .Vb 5 | |
| 466 \& $Value = $FingerprintsBitVector\->Kulczynski1SimilarityCoefficient( | |
| 467 \& $OtherFingerprintBitVector); | |
| 468 \& $Value = Fingerprints::FingerprintsBitVector:: | |
| 469 \& Kulczynski1SimilarityCoefficient( | |
| 470 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 471 .Ve | |
| 472 .Sp | |
| 473 Returns value of \fIKulczynski1\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 474 .IP "\fBKulczynski2SimilarityCoefficient\fR" 4 | |
| 475 .IX Item "Kulczynski2SimilarityCoefficient" | |
| 476 .Vb 5 | |
| 477 \& $Value = $FingerprintsBitVector\->Kulczynski2SimilarityCoefficient( | |
| 478 \& $OtherFingerprintBitVector); | |
| 479 \& $Value = Fingerprints::FingerprintsBitVector:: | |
| 480 \& Kulczynski2SimilarityCoefficient( | |
| 481 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 482 .Ve | |
| 483 .Sp | |
| 484 Returns value of \fIKulczynski2\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 485 .IP "\fBMatchingSimilarityCoefficient\fR" 4 | |
| 486 .IX Item "MatchingSimilarityCoefficient" | |
| 487 .Vb 5 | |
| 488 \& $Value = $FingerprintsBitVector\->MatchingSimilarityCoefficient( | |
| 489 \& $OtherFingerprintBitVector); | |
| 490 \& $Value = Fingerprints::FingerprintsBitVector:: | |
| 491 \& MatchingSimilarityCoefficient( | |
| 492 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 493 .Ve | |
| 494 .Sp | |
| 495 Returns value of \fIMatching\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 496 .IP "\fBMcConnaugheySimilarityCoefficient\fR" 4 | |
| 497 .IX Item "McConnaugheySimilarityCoefficient" | |
| 498 .Vb 5 | |
| 499 \& $Value = $FingerprintsBitVector\->McConnaugheySimilarityCoefficient( | |
| 500 \& $OtherFingerprintBitVector); | |
| 501 \& $Value = Fingerprints::FingerprintsBitVector:: | |
| 502 \& McConnaugheySimilarityCoefficient( | |
| 503 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 504 .Ve | |
| 505 .Sp | |
| 506 Returns value of \fIMcConnaughey\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 507 .IP "\fBNewFromBinaryString\fR" 4 | |
| 508 .IX Item "NewFromBinaryString" | |
| 509 .Vb 4 | |
| 510 \& $NewFPBitVector = $FingerprintsBitVector\->NewFromBinaryString( | |
| 511 \& $BinaryString); | |
| 512 \& $NewFPBitVector = Fingerprints::FingerprintsBitVector::NewFromBinaryString( | |
| 513 \& $BinaryString); | |
| 514 .Ve | |
| 515 .Sp | |
| 516 Creates a new \fIFingerprintsBitVector\fR using \fIBinaryString\fR and returns new | |
| 517 \&\fBFingerprintsBitVector\fR object. | |
| 518 .IP "\fBNewFromHexadecimalString\fR" 4 | |
| 519 .IX Item "NewFromHexadecimalString" | |
| 520 .Vb 5 | |
| 521 \& $NewFPBitVector = $FingerprintsBitVector\->NewFromHexadecimalString( | |
| 522 \& $HexdecimalString); | |
| 523 \& $NewFPBitVector = Fingerprints::FingerprintsBitVector:: | |
| 524 \& NewFromHexadecimalString( | |
| 525 \& $HexdecimalString); | |
| 526 .Ve | |
| 527 .Sp | |
| 528 Creates a new \fIFingerprintsBitVector\fR using \fIHexdecimalString\fR and returns new | |
| 529 \&\fBFingerprintsBitVector\fR object. | |
| 530 .IP "\fBNewFromRawBinaryString\fR" 4 | |
| 531 .IX Item "NewFromRawBinaryString" | |
| 532 .Vb 5 | |
| 533 \& $NewFPBitVector = $FingerprintsBitVector\->NewFromRawBinaryString( | |
| 534 \& $RawBinaryString); | |
| 535 \& $NewFPBitVector = Fingerprints::FingerprintsBitVector:: | |
| 536 \& NewFromRawBinaryString( | |
| 537 \& $RawBinaryString); | |
| 538 .Ve | |
| 539 .Sp | |
| 540 Creates a new \fIFingerprintsBitVector\fR using \fIRawBinaryString\fR and returns new | |
| 541 \&\fBFingerprintsBitVector\fR object. | |
| 542 .IP "\fBOchiaiSimilarityCoefficient\fR" 4 | |
| 543 .IX Item "OchiaiSimilarityCoefficient" | |
| 544 .Vb 4 | |
| 545 \& $Value = $FingerprintsBitVector\->OchiaiSimilarityCoefficient( | |
| 546 \& $OtherFingerprintBitVector); | |
| 547 \& $Value = Fingerprints::FingerprintsBitVector::OchiaiSimilarityCoefficient( | |
| 548 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 549 .Ve | |
| 550 .Sp | |
| 551 Returns value of \fIOchiai\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 552 .IP "\fBPearsonSimilarityCoefficient\fR" 4 | |
| 553 .IX Item "PearsonSimilarityCoefficient" | |
| 554 .Vb 4 | |
| 555 \& $Value = $FingerprintsBitVector\->PearsonSimilarityCoefficient( | |
| 556 \& $OtherFingerprintBitVector); | |
| 557 \& $Value = Fingerprints::FingerprintsBitVector::PearsonSimilarityCoefficient( | |
| 558 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 559 .Ve | |
| 560 .Sp | |
| 561 Returns value of \fIPearson\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 562 .IP "\fBRogersTanimotoSimilarityCoefficient\fR" 4 | |
| 563 .IX Item "RogersTanimotoSimilarityCoefficient" | |
| 564 .Vb 5 | |
| 565 \& $Value = $FingerprintsBitVector\->RogersTanimotoSimilarityCoefficient( | |
| 566 \& $OtherFingerprintBitVector); | |
| 567 \& $Value = Fingerprints::FingerprintsBitVector:: | |
| 568 \& RogersTanimotoSimilarityCoefficient( | |
| 569 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 570 .Ve | |
| 571 .Sp | |
| 572 Returns value of \fIRogersTanimoto\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 573 .IP "\fBRussellRaoSimilarityCoefficient\fR" 4 | |
| 574 .IX Item "RussellRaoSimilarityCoefficient" | |
| 575 .Vb 5 | |
| 576 \& $Value = $FingerprintsBitVector\->RussellRaoSimilarityCoefficient( | |
| 577 \& $OtherFingerprintBitVector); | |
| 578 \& $Value = Fingerprints::FingerprintsBitVector:: | |
| 579 \& RussellRaoSimilarityCoefficient( | |
| 580 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 581 .Ve | |
| 582 .Sp | |
| 583 Returns value of \fIRussellRao\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 584 .IP "\fBSetSpecifiedSize\fR" 4 | |
| 585 .IX Item "SetSpecifiedSize" | |
| 586 .Vb 1 | |
| 587 \& $FingerprintsBitVector\->SetSpecifiedSize($Size); | |
| 588 .Ve | |
| 589 .Sp | |
| 590 Sets specified size for fingerprints bit vector. | |
| 591 .Sp | |
| 592 Irrespective of specified size, Perl functions used to handle bit data in \fBBitVector\fR class | |
| 593 automatically sets the size to the next nearest power of 2. \fISpecifiedSize\fR is used by | |
| 594 \&\fBFingerprintsBitVector\fR class to process any aribitray size during similarity coefficient calculations. | |
| 595 .IP "\fBSetDescription\fR" 4 | |
| 596 .IX Item "SetDescription" | |
| 597 .Vb 1 | |
| 598 \& $FingerprintsBitVector\->SetDescription($Description); | |
| 599 .Ve | |
| 600 .Sp | |
| 601 Sets \fIDescription\fR of fingerprints bit vector and returns \fIFingerprintsBitVector\fR. | |
| 602 .IP "\fBSetID\fR" 4 | |
| 603 .IX Item "SetID" | |
| 604 .Vb 1 | |
| 605 \& $FingerprintsBitVector\->SetID($ID); | |
| 606 .Ve | |
| 607 .Sp | |
| 608 Sets \fI\s-1ID\s0\fR of fingerprints bit vector and returns \fIFingerprintsBitVector\fR. | |
| 609 .IP "\fBSetVectorType\fR" 4 | |
| 610 .IX Item "SetVectorType" | |
| 611 .Vb 1 | |
| 612 \& $FingerprintsBitVector\->SetVectorType($VectorType); | |
| 613 .Ve | |
| 614 .Sp | |
| 615 Sets \fIVectorType\fR of fingerprints bit vector and returns \fIFingerprintsBitVector\fR. | |
| 616 .IP "\fBSimpsonSimilarityCoefficient\fR" 4 | |
| 617 .IX Item "SimpsonSimilarityCoefficient" | |
| 618 .Vb 4 | |
| 619 \& $Value = $FingerprintsBitVector\->SimpsonSimilarityCoefficient( | |
| 620 \& $OtherFingerprintBitVector); | |
| 621 \& $Value = Fingerprints::FingerprintsBitVector::SimpsonSimilarityCoefficient( | |
| 622 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 623 .Ve | |
| 624 .Sp | |
| 625 Returns value of \fISimpson\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 626 .IP "\fBSkoalSneath1SimilarityCoefficient\fR" 4 | |
| 627 .IX Item "SkoalSneath1SimilarityCoefficient" | |
| 628 .Vb 5 | |
| 629 \& $Value = $FingerprintsBitVector\->SkoalSneath1SimilarityCoefficient( | |
| 630 \& $OtherFingerprintBitVector); | |
| 631 \& $Value = Fingerprints::FingerprintsBitVector:: | |
| 632 \& SkoalSneath1SimilarityCoefficient( | |
| 633 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 634 .Ve | |
| 635 .Sp | |
| 636 Returns value of \fISkoalSneath1\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 637 .IP "\fBSkoalSneath2SimilarityCoefficient\fR" 4 | |
| 638 .IX Item "SkoalSneath2SimilarityCoefficient" | |
| 639 .Vb 5 | |
| 640 \& $Value = $FingerprintsBitVector\->SkoalSneath2SimilarityCoefficient( | |
| 641 \& $OtherFingerprintBitVector); | |
| 642 \& $Value = Fingerprints::FingerprintsBitVector:: | |
| 643 \& SkoalSneath2SimilarityCoefficient( | |
| 644 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 645 .Ve | |
| 646 .Sp | |
| 647 Returns value of \fISkoalSneath2\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 648 .IP "\fBSkoalSneath3SimilarityCoefficient\fR" 4 | |
| 649 .IX Item "SkoalSneath3SimilarityCoefficient" | |
| 650 .Vb 5 | |
| 651 \& $Value = $FingerprintsBitVector\->SkoalSneath3SimilarityCoefficient( | |
| 652 \& $OtherFingerprintBitVector); | |
| 653 \& $Value = Fingerprints::FingerprintsBitVector:: | |
| 654 \& SkoalSneath3SimilarityCoefficient( | |
| 655 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 656 .Ve | |
| 657 .Sp | |
| 658 Returns value of \fISkoalSneath3\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR | |
| 659 .IP "\fBStringifyFingerprintsBitVector\fR" 4 | |
| 660 .IX Item "StringifyFingerprintsBitVector" | |
| 661 .Vb 1 | |
| 662 \& $String = $FingerprintsBitVector\->StringifyFingerprintsBitVector(); | |
| 663 .Ve | |
| 664 .Sp | |
| 665 Returns a string containing information about \fIFingerprintsBitVector\fR object. | |
| 666 .IP "\fBTanimotoSimilarityCoefficient\fR" 4 | |
| 667 .IX Item "TanimotoSimilarityCoefficient" | |
| 668 .Vb 5 | |
| 669 \& $Value = $FingerprintsBitVector\->TanimotoSimilarityCoefficient( | |
| 670 \& $OtherFingerprintBitVector); | |
| 671 \& $Value = Fingerprints::FingerprintsBitVector:: | |
| 672 \& TanimotoSimilarityCoefficient( | |
| 673 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 674 .Ve | |
| 675 .Sp | |
| 676 Returns value of \fITanimoto\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 677 .IP "\fBTverskySimilarityCoefficient\fR" 4 | |
| 678 .IX Item "TverskySimilarityCoefficient" | |
| 679 .Vb 5 | |
| 680 \& $Value = $FingerprintsBitVector\->TverskySimilarityCoefficient( | |
| 681 \& $OtherFingerprintBitVector, $Alpha); | |
| 682 \& $Value = Fingerprints::FingerprintsBitVector:: | |
| 683 \& TverskySimilarityCoefficient( | |
| 684 \& $FingerprintsBitVectorA, $FingerprintBitVectorB, $Alpha); | |
| 685 .Ve | |
| 686 .Sp | |
| 687 Returns value of \fITversky\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 688 .IP "\fBWeightedTanimotoSimilarityCoefficient\fR" 4 | |
| 689 .IX Item "WeightedTanimotoSimilarityCoefficient" | |
| 690 .Vb 7 | |
| 691 \& $Value = | |
| 692 \& $FingerprintsBitVector\->WeightedTanimotoSimilarityCoefficient( | |
| 693 \& $OtherFingerprintBitVector, $Beta); | |
| 694 \& $Value = | |
| 695 \& Fingerprints::FingerprintsBitVector:: | |
| 696 \& WeightedTanimotoSimilarityCoefficient( | |
| 697 \& $FingerprintsBitVectorA, $FingerprintBitVectorB, $Beta); | |
| 698 .Ve | |
| 699 .Sp | |
| 700 Returns value of \fIWeightedTanimoto\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 701 .IP "\fBWeightedTverskySimilarityCoefficient\fR" 4 | |
| 702 .IX Item "WeightedTverskySimilarityCoefficient" | |
| 703 .Vb 7 | |
| 704 \& $Value = | |
| 705 \& $FingerprintsBitVector\->WeightedTverskySimilarityCoefficient( | |
| 706 \& $OtherFingerprintBitVector, $Alpha, $Beta); | |
| 707 \& $Value = | |
| 708 \& Fingerprints::FingerprintsBitVector:: | |
| 709 \& WeightedTverskySimilarityCoefficient( | |
| 710 \& $FingerprintsBitVectorA, $FingerprintBitVectorB, $Alpha, $Beta); | |
| 711 .Ve | |
| 712 .Sp | |
| 713 Returns value of \fIWeightedTversky\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 714 .IP "\fBYuleSimilarityCoefficient\fR" 4 | |
| 715 .IX Item "YuleSimilarityCoefficient" | |
| 716 .Vb 4 | |
| 717 \& $Value = $FingerprintsBitVector\->YuleSimilarityCoefficient( | |
| 718 \& $OtherFingerprintBitVector); | |
| 719 \& $Value = Fingerprints::FingerprintsBitVector::YuleSimilarityCoefficient( | |
| 720 \& $FingerprintsBitVectorA, $FingerprintBitVectorB); | |
| 721 .Ve | |
| 722 .Sp | |
| 723 Returns value of \fIYule\fR similarity coefficient between two same size \fIFingerprintsBitVectors\fR. | |
| 724 .SH "AUTHOR" | |
| 725 .IX Header "AUTHOR" | |
| 726 Manish Sud <msud@san.rr.com> | |
| 727 .SH "SEE ALSO" | |
| 728 .IX Header "SEE ALSO" | |
| 729 BitVector.pm, FingerprintsStringUtil.pm, FingerprintsVector.pm, Vector.pm | |
| 730 .SH "COPYRIGHT" | |
| 731 .IX Header "COPYRIGHT" | |
| 732 Copyright (C) 2015 Manish Sud. All rights reserved. | |
| 733 .PP | |
| 734 This file is part of MayaChemTools. | |
| 735 .PP | |
| 736 MayaChemTools is free software; you can redistribute it and/or modify it under | |
| 737 the terms of the \s-1GNU\s0 Lesser General Public License as published by the Free | |
| 738 Software Foundation; either version 3 of the License, or (at your option) | |
| 739 any later version. |
