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comparison mayachemtools/docs/modules/man3/FingerprintsVector.3 @ 0:73ae111cf86f draft
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126 .IX Title "FINGERPRINTSVECTOR 1" | |
127 .TH FINGERPRINTSVECTOR 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 FingerprintsVector | |
134 .SH "SYNOPSIS" | |
135 .IX Header "SYNOPSIS" | |
136 use Fingerprints::FingerprintsVector; | |
137 .PP | |
138 use Fingerprints::FingerprintsVector qw(:all); | |
139 .SH "DESCRIPTION" | |
140 .IX Header "DESCRIPTION" | |
141 \&\fBFingerprintsVector\fR class provides the following methods: | |
142 .PP | |
143 new, AddValueIDs, AddValues, CityBlockDistanceCoefficient, | |
144 CosineSimilarityCoefficient, CzekanowskiSimilarityCoefficient, | |
145 DiceSimilarityCoefficient, EuclideanDistanceCoefficient, GetDescription, | |
146 GetFingerprintsVectorString, GetID, GetIDsAndValuesPairsString, | |
147 GetIDsAndValuesString, GetNumOfNonZeroValues, GetNumOfValueIDs, GetNumOfValues, | |
148 GetSupportedDistanceAndSimilarityCoefficients, GetSupportedDistanceCoefficients, | |
149 GetSupportedSimilarityCoefficients, GetType, GetValue, GetValueID, GetValueIDs, | |
150 GetValueIDsString, GetValues, GetValuesAndIDsPairsString, GetValuesAndIDsString, | |
151 GetValuesString, GetVectorType, HammingDistanceCoefficient, IsFingerprintsVector, | |
152 JaccardSimilarityCoefficient, ManhattanDistanceCoefficient, | |
153 NewFromIDsAndValuesPairsString, NewFromIDsAndValuesString, | |
154 NewFromValuesAndIDsPairsString, NewFromValuesAndIDsString, NewFromValuesString, | |
155 OchiaiSimilarityCoefficient, SetDescription, SetID, SetType, SetValue, SetValueID, | |
156 SetValueIDs, SetValues, SetVectorType, SoergelDistanceCoefficient, | |
157 SorensonSimilarityCoefficient, StringifyFingerprintsVector, | |
158 TanimotoSimilarityCoefficient | |
159 .PP | |
160 The methods available to create fingerprints vector from strings and to calculate similarity | |
161 and distance coefficients between two vectors can also be invoked as class functions. | |
162 .PP | |
163 \&\fBFingerprintsVector\fR class provides support to perform comparison between vectors | |
164 containing three different types of values: | |
165 .PP | |
166 Type I: OrderedNumericalValues | |
167 .PP | |
168 .Vb 3 | |
169 \& o Size of two vectors are same | |
170 \& o Vectors contain real values in a specific order. For example: MACCS keys | |
171 \& count, Topological pharmacophore atom pairs and so on. | |
172 .Ve | |
173 .PP | |
174 Type \s-1II:\s0 UnorderedNumericalValues | |
175 .PP | |
176 .Vb 3 | |
177 \& o Size of two vectors might not be same | |
178 \& o Vectors contain unordered real value identified by value IDs. For example: | |
179 \& Topological atom pairs, Topological atom torsions and so on | |
180 .Ve | |
181 .PP | |
182 Type \s-1III:\s0 AlphaNumericalValues | |
183 .PP | |
184 .Vb 3 | |
185 \& o Size of two vectors might not be same | |
186 \& o Vectors contain unordered alphanumerical values. For example: Extended | |
187 \& connectivity fingerprints, atom neighborhood fingerprints. | |
188 .Ve | |
189 .PP | |
190 Before performing similarity or distance calculations between vectors containing UnorderedNumericalValues | |
191 or AlphaNumericalValues, the vectors are transformed into vectors containing unique OrderedNumericalValues | |
192 using value IDs for UnorderedNumericalValues and values itself for AlphaNumericalValues. | |
193 .PP | |
194 Three forms of similarity and distance calculation between two vectors, specified using \fBCalculationMode\fR | |
195 option, are supported: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. | |
196 .PP | |
197 For \fIBinaryForm\fR, the ordered list of processed final vector values containing the value or | |
198 count of each unique value type is simply converted into a binary vector containing 1s and 0s | |
199 corresponding to presence or absence of values before calculating similarity or distance between | |
200 two vectors. | |
201 .PP | |
202 For two fingerprint vectors A and B of same size containing OrderedNumericalValues, let: | |
203 .PP | |
204 .Vb 1 | |
205 \& N = Number values in A or B | |
206 \& | |
207 \& Xa = Values of vector A | |
208 \& Xb = Values of vector B | |
209 \& | |
210 \& Xai = Value of ith element in A | |
211 \& Xbi = Value of ith element in B | |
212 \& | |
213 \& SUM = Sum of i over N values | |
214 .Ve | |
215 .PP | |
216 For SetTheoreticForm of calculation between two vectors, let: | |
217 .PP | |
218 .Vb 2 | |
219 \& SetIntersectionXaXb = SUM ( MIN ( Xai, Xbi ) ) | |
220 \& SetDifferenceXaXb = SUM ( Xai ) + SUM ( Xbi ) \- SUM ( MIN ( Xai, Xbi ) ) | |
221 .Ve | |
222 .PP | |
223 For BinaryForm of calculation between two vectors, let: | |
224 .PP | |
225 .Vb 5 | |
226 \& Na = Number of bits set to "1" in A = SUM ( Xai ) | |
227 \& Nb = Number of bits set to "1" in B = SUM ( Xbi ) | |
228 \& Nc = Number of bits set to "1" in both A and B = SUM ( Xai * Xbi ) | |
229 \& Nd = Number of bits set to "0" in both A and B | |
230 \& = SUM ( 1 \- Xai \- Xbi + Xai * Xbi) | |
231 \& | |
232 \& N = Number of bits set to "1" or "0" in A or B = Size of A or B = Na + Nb \- Nc + Nd | |
233 .Ve | |
234 .PP | |
235 Additionally, for BinaryForm various values also correspond to: | |
236 .PP | |
237 .Vb 4 | |
238 \& Na = | Xa | | |
239 \& Nb = | Xb | | |
240 \& Nc = | SetIntersectionXaXb | | |
241 \& Nd = N \- | SetDifferenceXaXb | | |
242 \& | |
243 \& | SetDifferenceXaXb | = N \- Nd = Na + Nb \- Nc + Nd \- Nd = Na + Nb \- Nc | |
244 \& = | Xa | + | Xb | \- | SetIntersectionXaXb | | |
245 .Ve | |
246 .PP | |
247 Various similarity and distance coefficients [ Ref 40, Ref 62, Ref 64 ] for a pair of vectors A and B | |
248 in \fIAlgebraicForm, BinaryForm and SetTheoreticForm\fR are defined as follows: | |
249 .PP | |
250 \&\fBCityBlockDistance\fR: ( same as HammingDistance and ManhattanDistance) | |
251 .PP | |
252 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( \s-1ABS\s0 ( Xai \- Xbi ) ) | |
253 .PP | |
254 \&\fIBinaryForm\fR: ( Na \- Nc ) + ( Nb \- Nc ) = Na + Nb \- 2 * Nc | |
255 .PP | |
256 \&\fISetTheoreticForm\fR: | SetDifferenceXaXb | \- | SetIntersectionXaXb | = \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) \- 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) ) | |
257 .PP | |
258 \&\fBCosineSimilarity\fR: ( same as OchiaiSimilarityCoefficient) | |
259 .PP | |
260 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( Xai * Xbi ) / \s-1SQRT\s0 ( \s-1SUM\s0 ( Xai ** 2) * \s-1SUM\s0 ( Xbi ** 2) ) | |
261 .PP | |
262 \&\fIBinaryForm\fR: Nc / \s-1SQRT\s0 ( Na * Nb) | |
263 .PP | |
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 ) ) | |
265 .PP | |
266 \&\fBCzekanowskiSimilarity\fR: ( same as DiceSimilarity and SorensonSimilarity) | |
267 .PP | |
268 \&\fIAlgebraicForm\fR: ( 2 * ( \s-1SUM\s0 ( Xai * Xbi ) ) ) / ( \s-1SUM\s0 ( Xai ** 2) + \s-1SUM\s0 ( Xbi **2 ) ) | |
269 .PP | |
270 \&\fIBinaryForm\fR: 2 * Nc / ( Na + Nb ) | |
271 .PP | |
272 \&\fISetTheoreticForm\fR: 2 * | SetIntersectionXaXb | / ( |Xa| + |Xb| ) = 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) ) / ( \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) ) | |
273 .PP | |
274 \&\fBDiceSimilarity\fR: ( same as CzekanowskiSimilarity and SorensonSimilarity) | |
275 .PP | |
276 \&\fIAlgebraicForm\fR: ( 2 * ( \s-1SUM\s0 ( Xai * Xbi ) ) ) / ( \s-1SUM\s0 ( Xai ** 2) + \s-1SUM\s0 ( Xbi **2 ) ) | |
277 .PP | |
278 \&\fIBinaryForm\fR: 2 * Nc / ( Na + Nb ) | |
279 .PP | |
280 \&\fISetTheoreticForm\fR: 2 * | SetIntersectionXaXb | / ( |Xa| + |Xb| ) = 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) ) / ( \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) ) | |
281 .PP | |
282 \&\fBEuclideanDistance\fR: | |
283 .PP | |
284 \&\fIAlgebraicForm\fR: \s-1SQRT\s0 ( \s-1SUM\s0 ( ( ( Xai \- Xbi ) ** 2 ) ) ) | |
285 .PP | |
286 \&\fIBinaryForm\fR: \s-1SQRT\s0 ( ( Na \- Nc ) + ( Nb \- Nc ) ) = \s-1SQRT\s0 ( Na + Nb \- 2 * Nc ) | |
287 .PP | |
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 ) ) ) ) | |
289 .PP | |
290 \&\fBHammingDistance\fR: ( same as CityBlockDistance and ManhattanDistance) | |
291 .PP | |
292 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( \s-1ABS\s0 ( Xai \- Xbi ) ) | |
293 .PP | |
294 \&\fIBinaryForm\fR: ( Na \- Nc ) + ( Nb \- Nc ) = Na + Nb \- 2 * Nc | |
295 .PP | |
296 \&\fISetTheoreticForm\fR: | SetDifferenceXaXb | \- | SetIntersectionXaXb | = \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) \- 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) ) | |
297 .PP | |
298 \&\fBJaccardSimilarity\fR: ( same as TanimotoSimilarity) | |
299 .PP | |
300 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( Xai * Xbi ) / ( \s-1SUM\s0 ( Xai ** 2 ) + \s-1SUM\s0 ( Xbi ** 2 ) \- \s-1SUM\s0 ( Xai * Xbi ) ) | |
301 .PP | |
302 \&\fIBinaryForm\fR: Nc / ( ( Na \- Nc ) + ( Nb \- Nc ) + Nc ) = Nc / ( Na + Nb \- Nc ) | |
303 .PP | |
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 ) ) ) | |
305 .PP | |
306 \&\fBManhattanDistance\fR: ( same as CityBlockDistance and HammingDistance) | |
307 .PP | |
308 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( \s-1ABS\s0 ( Xai \- Xbi ) ) | |
309 .PP | |
310 \&\fIBinaryForm\fR: ( Na \- Nc ) + ( Nb \- Nc ) = Na + Nb \- 2 * Nc | |
311 .PP | |
312 \&\fISetTheoreticForm\fR: | SetDifferenceXaXb | \- | SetIntersectionXaXb | = \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) \- 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) ) | |
313 .PP | |
314 \&\fBOchiaiSimilarity\fR: ( same as CosineSimilarity) | |
315 .PP | |
316 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( Xai * Xbi ) / \s-1SQRT\s0 ( \s-1SUM\s0 ( Xai ** 2) * \s-1SUM\s0 ( Xbi ** 2) ) | |
317 .PP | |
318 \&\fIBinaryForm\fR: Nc / \s-1SQRT\s0 ( Na * Nb) | |
319 .PP | |
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 ) ) | |
321 .PP | |
322 \&\fBSorensonSimilarity\fR: ( same as CzekanowskiSimilarity and DiceSimilarity) | |
323 .PP | |
324 \&\fIAlgebraicForm\fR: ( 2 * ( \s-1SUM\s0 ( Xai * Xbi ) ) ) / ( \s-1SUM\s0 ( Xai ** 2) + \s-1SUM\s0 ( Xbi **2 ) ) | |
325 .PP | |
326 \&\fIBinaryForm\fR: 2 * Nc / ( Na + Nb ) | |
327 .PP | |
328 \&\fISetTheoreticForm\fR: 2 * | SetIntersectionXaXb | / ( |Xa| + |Xb| ) = 2 * ( \s-1SUM\s0 ( \s-1MIN\s0 ( Xai, Xbi ) ) ) / ( \s-1SUM\s0 ( Xai ) + \s-1SUM\s0 ( Xbi ) ) | |
329 .PP | |
330 \&\fBSoergelDistance\fR: | |
331 .PP | |
332 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( \s-1ABS\s0 ( Xai \- Xbi ) ) / \s-1SUM\s0 ( \s-1MAX\s0 ( Xai, Xbi ) ) | |
333 .PP | |
334 \&\fIBinaryForm\fR: 1 \- Nc / ( Na + Nb \- Nc ) = ( Na + Nb \- 2 * Nc ) / ( Na + Nb \- Nc ) | |
335 .PP | |
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 ) ) ) | |
337 .PP | |
338 \&\fBTanimotoSimilarity\fR: ( same as JaccardSimilarity) | |
339 .PP | |
340 \&\fIAlgebraicForm\fR: \s-1SUM\s0 ( Xai * Xbi ) / ( \s-1SUM\s0 ( Xai ** 2 ) + \s-1SUM\s0 ( Xbi ** 2 ) \- \s-1SUM\s0 ( Xai * Xbi ) ) | |
341 .PP | |
342 \&\fIBinaryForm\fR: Nc / ( ( Na \- Nc ) + ( Nb \- Nc ) + Nc ) = Nc / ( Na + Nb \- Nc ) | |
343 .PP | |
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 ) ) ) | |
345 .SS "\s-1METHODS\s0" | |
346 .IX Subsection "METHODS" | |
347 .IP "\fBnew\fR" 4 | |
348 .IX Item "new" | |
349 .Vb 1 | |
350 \& $FPVector = new Fingerprints::FingerprintsVector(%NamesAndValues); | |
351 .Ve | |
352 .Sp | |
353 Using specified \fIFingerprintsVector\fR property names and values hash, \fBnew\fR method creates | |
354 a new object and returns a reference to newly created \fBFingerprintsVectorsVector\fR | |
355 object. By default, the following properties are initialized: | |
356 .Sp | |
357 .Vb 3 | |
358 \& Type = \*(Aq\*(Aq | |
359 \& @{Values} = () | |
360 \& @{ValuesIDs} = () | |
361 .Ve | |
362 .Sp | |
363 Examples: | |
364 .Sp | |
365 .Vb 7 | |
366 \& $FPVector = new Fingerprints::FingerprintsVector(\*(AqType\*(Aq => \*(AqOrderedNumericalValues\*(Aq, | |
367 \& \*(AqValues\*(Aq => [1, 2, 3, 4]); | |
368 \& $FPVector = new Fingerprints::FingerprintsVector(\*(AqType\*(Aq => \*(AqNumericalValues\*(Aq, | |
369 \& \*(AqValues\*(Aq => [10, 22, 33, 44], | |
370 \& \*(AqValueIDs\*(Aq => [\*(AqID1\*(Aq, \*(AqID2\*(Aq, \*(AqID3\*(Aq, \*(AqID4\*(Aq]); | |
371 \& $FPVector = new Fingerprints::FingerprintsVector(\*(AqType\*(Aq => \*(AqAlphaNumericalValues\*(Aq, | |
372 \& \*(AqValues\*(Aq => [\*(Aqa1\*(Aq, 2, \*(Aqa3\*(Aq, 4]); | |
373 .Ve | |
374 .IP "\fBAddValueIDs\fR" 4 | |
375 .IX Item "AddValueIDs" | |
376 .Vb 2 | |
377 \& $FingerprintsVector\->AddValueIDs($ValueIDsRef); | |
378 \& $FingerprintsVector\->AddValueIDs(@ValueIDs); | |
379 .Ve | |
380 .Sp | |
381 Adds specified \fIValueIDs\fR to \fIFingerprintsVector\fR and returns \fIFingerprintsVector\fR. | |
382 .IP "\fBAddValues\fR" 4 | |
383 .IX Item "AddValues" | |
384 .Vb 3 | |
385 \& $FingerprintsVector\->AddValues($ValuesRef); | |
386 \& $FingerprintsVector\->AddValues(@Values); | |
387 \& $FingerprintsVector\->AddValues($Vector); | |
388 .Ve | |
389 .Sp | |
390 Adds specified \fIValues\fR to \fIFingerprintsVector\fR and returns \fIFingerprintsVector\fR. | |
391 .IP "\fBCityBlockDistanceCoefficient\fR" 4 | |
392 .IX Item "CityBlockDistanceCoefficient" | |
393 .Vb 5 | |
394 \& $Value = $FingerprintsVector\->CityBlockDistanceCoefficient( | |
395 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]); | |
396 \& $Value = Fingerprints::FingerprintsVector::CityBlockDistanceCoefficient( | |
397 \& $FingerprintsVectorA, $FingerprintVectorB, | |
398 \& [$CalculationMode, $SkipValuesCheck]); | |
399 .Ve | |
400 .Sp | |
401 Returns value of \fICityBlock\fR distance coefficient between two \fIFingerprintsVectors\fR using | |
402 optionally specified \fICalculationMode\fR and optional checking of vector values. | |
403 .Sp | |
404 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default | |
405 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR. | |
406 .IP "\fBCosineSimilarityCoefficient\fR" 4 | |
407 .IX Item "CosineSimilarityCoefficient" | |
408 .Vb 5 | |
409 \& $Value = $FingerprintsVector\->CosineSimilarityCoefficient( | |
410 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]); | |
411 \& $Value = Fingerprints::FingerprintsVector::CosineSimilarityCoefficient( | |
412 \& $FingerprintsVectorA, $FingerprintVectorB, | |
413 \& [$CalculationMode, $SkipValuesCheck]); | |
414 .Ve | |
415 .Sp | |
416 Returns value of \fICosine\fR similarity coefficient between two \fIFingerprintsVectors\fR using | |
417 optionally specified \fICalculationMode\fR and optional checking of vector values. | |
418 .Sp | |
419 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default | |
420 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR. | |
421 .IP "\fBCzekanowskiSimilarityCoefficient\fR" 4 | |
422 .IX Item "CzekanowskiSimilarityCoefficient" | |
423 .Vb 5 | |
424 \& $Value = $FingerprintsVector\->CzekanowskiSimilarityCoefficient( | |
425 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]); | |
426 \& $Value = Fingerprints::FingerprintsVector::CzekanowskiSimilarityCoefficient( | |
427 \& $FingerprintsVectorA, $FingerprintVectorB, | |
428 \& [$CalculationMode, $SkipValuesCheck]); | |
429 .Ve | |
430 .Sp | |
431 Returns value of \fICzekanowski\fR similarity coefficient between two \fIFingerprintsVectors\fR using | |
432 optionally specified \fICalculationMode\fR and optional checking of vector values. | |
433 .Sp | |
434 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default | |
435 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR. | |
436 .IP "\fBDiceSimilarityCoefficient\fR" 4 | |
437 .IX Item "DiceSimilarityCoefficient" | |
438 .Vb 5 | |
439 \& $Value = $FingerprintsVector\->DiceSimilarityCoefficient( | |
440 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]); | |
441 \& $Value = Fingerprints::FingerprintsVector::DiceSimilarityCoefficient( | |
442 \& $FingerprintsVectorA, $FingerprintVectorB, | |
443 \& [$CalculationMode, $SkipValuesCheck]); | |
444 .Ve | |
445 .Sp | |
446 Returns value of \fIDice\fR similarity coefficient between two \fIFingerprintsVectors\fR using | |
447 optionally specified \fICalculationMode\fR and optional checking of vector values. | |
448 .Sp | |
449 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default | |
450 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR. | |
451 .IP "\fBEuclideanDistanceCoefficient\fR" 4 | |
452 .IX Item "EuclideanDistanceCoefficient" | |
453 .Vb 5 | |
454 \& $Value = $FingerprintsVector\->EuclideanDistanceCoefficient( | |
455 \& $OtherFingerprintVector, [$CalculationMode, $SkipValuesCheck]); | |
456 \& $Value = Fingerprints::FingerprintsVector::EuclideanDistanceCoefficient( | |
457 \& $FingerprintsVectorA, $FingerprintVectorB, | |
458 \& [$CalculationMode, $SkipValuesCheck]); | |
459 .Ve | |
460 .Sp | |
461 Returns value of \fIEuclidean\fR distance coefficient between two \fIFingerprintsVectors\fR using | |
462 optionally specified \fICalculationMode\fR and optional checking of vector values. | |
463 .Sp | |
464 Possible \fICalculationMode\fR values: \fIAlgebraicForm, BinaryForm or SetTheoreticForm\fR. Default | |
465 \&\fICalculationMode\fR value: \fIAlgebraicForm\fR. Default \fISkipValuesCheck\fR value: \fI0\fR. | |
466 .IP "\fBGetDescription\fR" 4 | |
467 .IX Item "GetDescription" | |
468 .Vb 1 | |
469 \& $Description = $FingerprintsVector\->GetDescription(); | |
470 .Ve | |
471 .Sp | |
472 Returns a string containing description of fingerprints vector. | |
473 .IP "\fBGetFingerprintsVectorString\fR" 4 | |
474 .IX Item "GetFingerprintsVectorString" | |
475 .Vb 1 | |
476 \& $FPString = $FingerprintsVector\->GetFingerprintsVectorString($Format); | |
477 .Ve | |
478 .Sp | |
479 Returns a \fBFingerprintsString\fR containing vector values and/or IDs in \fIFingerprintsVector\fR | |
480 corresponding to specified \fIFormat\fR. | |
481 .Sp | |
482 Possible \fIFormat\fR values: \fIIDsAndValuesString, IDsAndValues, IDsAndValuesPairsString, | |
483 IDsAndValuesPairs, ValuesAndIDsString, ValuesAndIDs, ValuesAndIDsPairsString, ValuesAndIDsPairs, | |
484 ValueIDsString, ValueIDs, ValuesString, or Values\fR. | |
485 .IP "\fBGetID\fR" 4 | |
486 .IX Item "GetID" | |
487 .Vb 1 | |
488 \& $ID = $FingerprintsVector\->GetID(); | |
489 .Ve | |
490 .Sp | |
491 Returns \fI\s-1ID\s0\fR of \fIFingerprintsVector\fR. | |
492 .IP "\fBGetVectorType\fR" 4 | |
493 .IX Item "GetVectorType" | |
494 .Vb 1 | |
495 \& $VectorType = $FingerprintsVector\->GetVectorType(); | |
496 .Ve | |
497 .Sp | |
498 Returns \fIVectorType\fR of \fIFingerprintsVector\fR. | |
499 .IP "\fBGetIDsAndValuesPairsString\fR" 4 | |
500 .IX Item "GetIDsAndValuesPairsString" | |
501 .Vb 1 | |
502 \& $IDsValuesPairsString = $FingerprintsVector\->GetIDsAndValuesPairsString(); | |
503 .Ve | |
504 .Sp | |
505 Returns \fIFingerprintsVector\fR value IDs and values as space delimited ID/value pair | |
506 string. | |
507 .IP "\fBGetIDsAndValuesString\fR" 4 | |
508 .IX Item "GetIDsAndValuesString" | |
509 .Vb 1 | |
510 \& $IDsValuesString = $FingerprintsVector\->GetIDsAndValuesString(); | |
511 .Ve | |
512 .Sp | |
513 Returns \fIFingerprintsVector\fR value IDs and values as string containing space delimited IDs followed by | |
514 values with semicolon as IDs and values delimiter. | |
515 .IP "\fBGetNumOfNonZeroValues\fR" 4 | |
516 .IX Item "GetNumOfNonZeroValues" | |
517 .Vb 1 | |
518 \& $NumOfNonZeroValues = $FingerprintsVector\->GetNumOfNonZeroValues(); | |
519 .Ve | |
520 .Sp | |
521 Returns number of non-zero values in \fIFingerprintsVector\fR. | |
522 .IP "\fBGetNumOfValueIDs\fR" 4 | |
523 .IX Item "GetNumOfValueIDs" | |
524 .Vb 1 | |
525 \& $NumOfValueIDs = $FingerprintsVector\->GetNumOfValueIDs(); | |
526 .Ve | |
527 .Sp | |
528 Returns number of value IDs \fIFingerprintsVector\fR. | |
529 .IP "\fBGetNumOfValues\fR" 4 | |
530 .IX Item "GetNumOfValues" | |
531 .Vb 1 | |
532 \& $NumOfValues = $FingerprintsVector\->GetNumOfValues(); | |
533 .Ve | |
534 .Sp | |
535 Returns number of values \fIFingerprintsVector\fR. | |
536 .IP "\fBGetSupportedDistanceAndSimilarityCoefficients\fR" 4 | |
537 .IX Item "GetSupportedDistanceAndSimilarityCoefficients" | |
538 .Vb 2 | |
539 \& @SupportedDistanceAndSimilarityCoefficientsReturn = | |
540 \& Fingerprints::FingerprintsVector::GetSupportedDistanceAndSimilarityCoefficients(); | |
541 .Ve | |
542 .Sp | |
543 Returns an array containing names of supported distance and similarity coefficients. | |
544 .IP "\fBGetSupportedDistanceCoefficients\fR" 4 | |
545 .IX Item "GetSupportedDistanceCoefficients" | |
546 .Vb 2 | |
547 \& @SupportedDistanceCoefficientsReturn = | |
548 \& Fingerprints::FingerprintsVector::GetSupportedDistanceCoefficients(); | |
549 .Ve | |
550 .Sp | |
551 Returns an array containing names of supported disyance coefficients. | |
552 .IP "\fBGetSupportedSimilarityCoefficients\fR" 4 | |
553 .IX Item "GetSupportedSimilarityCoefficients" | |
554 .Vb 2 | |
555 \& @SupportedSimilarityCoefficientsReturn = | |
556 \& Fingerprints::FingerprintsVector::GetSupportedSimilarityCoefficients(); | |
557 .Ve | |
558 .Sp | |
559 Returns an array containing names of supported similarity coefficients. | |
560 .IP "\fBGetType\fR" 4 | |
561 .IX Item "GetType" | |
562 .Vb 1 | |
563 \& $VectorType = $FingerprintsVector\->GetType(); | |
564 .Ve | |
565 .Sp | |
566 Returns \fIFingerprintsVector\fR vector type. | |
567 .IP "\fBGetValue\fR" 4 | |
568 .IX Item "GetValue" | |
569 .Vb 1 | |
570 \& $Value = $FingerprintsVector\->GetValue($Index); | |
571 .Ve | |
572 .Sp | |
573 Returns fingerprints vector \fBValue\fR specified using \fIIndex\fR starting at 0. | |
574 .IP "\fBGetValueID\fR" 4 | |
575 .IX Item "GetValueID" | |
576 .Vb 1 | |
577 \& $ValueID = $FingerprintsVector\->GetValueID(); | |
578 .Ve | |
579 .Sp | |
580 Returns fingerprints vector \fBValueID\fR specified using \fIIndex\fR starting at 0. | |
581 .IP "\fBGetValueIDs\fR" 4 | |
582 .IX Item "GetValueIDs" | |
583 .Vb 2 | |
584 \& $ValueIDs = $FingerprintsVector\->GetValueIDs(); | |
585 \& @ValueIDs = $FingerprintsVector\->GetValueIDs(); | |
586 .Ve | |
587 .Sp | |
588 Returns fingerprints vector \fBValueIDs\fR as an array or reference to an array. | |
589 .IP "\fBGetValueIDsString\fR" 4 | |
590 .IX Item "GetValueIDsString" | |
591 .Vb 1 | |
592 \& $ValueIDsString = $FingerprintsVector\->GetValueIDsString(); | |
593 .Ve | |
594 .Sp | |
595 Returns fingerprints vector \fBValueIDsString\fR with value IDs delimited by space. | |
596 .IP "\fBGetValues\fR" 4 | |
597 .IX Item "GetValues" | |
598 .Vb 2 | |
599 \& $ValuesRef = $FingerprintsVector\->GetValues(); | |
600 \& @Values = $FingerprintsVector\->GetValues(); | |
601 .Ve | |
602 .Sp | |
603 Returns fingerprints vector \fBValues\fR as an array or reference to an array. | |
604 .IP "\fBGetValuesAndIDsPairsString\fR" 4 | |
605 .IX Item "GetValuesAndIDsPairsString" | |
606 .Vb 1 | |
607 \& $ValuesIDsPairsString = $FingerprintsVector\->GetValuesAndIDsPairsString(); | |
608 .Ve | |
609 .Sp | |
610 Returns \fIFingerprintsVector\fR value and value IDs as space delimited ID/value pair | |
611 string. | |
612 .IP "\fBGetValuesAndIDsString\fR" 4 | |
613 .IX Item "GetValuesAndIDsString" | |
614 .Vb 1 | |
615 \& $ValuesIDsString = $FingerprintsVector\->GetValuesAndIDsString(); | |
616 .Ve | |
617 .Sp | |
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. |