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1 .\" Automatically generated by Pod::Man 2.25 (Pod::Simple 3.22)
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29 . if (\n(.H=4u)&(1m=24u) .ds -- \(*W\h'-12u'\(*W\h'-12u'-\" diablo 10 pitch
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124 .\" ========================================================================
125 .\"
126 .IX Title "FINGERPRINTSSTRINGUTIL 1"
127 .TH FINGERPRINTSSTRINGUTIL 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 FingerprintsStringUtil
134 .SH "SYNOPSIS"
135 .IX Header "SYNOPSIS"
136 use Fingerprints::FingerprintsStringUtil;
137 .PP
138 use Fingerprints::FingerprintsStringUtil qw(:all);
139 .SH "DESCRIPTION"
140 .IX Header "DESCRIPTION"
141 \&\fBFingerprintsStringUtil\fR module provides the following functions:
142 .PP
143 AreFingerprintsStringValuesValid, GenerateFingerprintsBitVectorString,
144 GenerateFingerprintsString, GenerateFingerprintsVectorString,
145 GetDefaultBitStringFormat, GetDefaultBitsOrder, GetDefaultVectorStringFormat,
146 GetFingeprintsStringDelimiter, GetFingerprintsStringTypeAndDescription,
147 GetFingerprintsStringValues, ParseFingerprintsBitVectorString,
148 ParseFingerprintsString, ParseFingerprintsVectorString
149 .PP
150 The current release of MayaChemTools supports the following types of fingerprint
151 bit-vector and vector strings:
152 .PP
153 .Vb 6
154 \& FingerprintsVector;AtomNeighborhoods:AtomicInvariantsAtomTypes:MinRadi
155 \& us0:MaxRadius2;41;AlphaNumericalValues;ValuesString;NR0\-C.X1.BO1.H3\-AT
156 \& C1:NR1\-C.X3.BO3.H1\-ATC1:NR2\-C.X1.BO1.H3\-ATC1:NR2\-C.X3.BO4\-ATC1 NR0\-C.X
157 \& 1.BO1.H3\-ATC1:NR1\-C.X3.BO3.H1\-ATC1:NR2\-C.X1.BO1.H3\-ATC1:NR2\-C.X3.BO4\-A
158 \& TC1 NR0\-C.X2.BO2.H2\-ATC1:NR1\-C.X2.BO2.H2\-ATC1:NR1\-C.X3.BO3.H1\-ATC1:NR2
159 \& \-C.X2.BO2.H2\-ATC1:NR2\-N.X3.BO3\-ATC1:NR2\-O.X1.BO1.H1\-ATC1 NR0\-C.X2.B...
160 \&
161 \& FingerprintsVector;AtomTypesCount:AtomicInvariantsAtomTypes:ArbitraryS
162 \& ize;10;NumericalValues;IDsAndValuesString;C.X1.BO1.H3 C.X2.BO2.H2 C.X2
163 \& .BO3.H1 C.X3.BO3.H1 C.X3.BO4 F.X1.BO1 N.X2.BO2.H1 N.X3.BO3 O.X1.BO1.H1
164 \& O.X1.BO2;2 4 14 3 10 1 1 1 3 2
165 \&
166 \& FingerprintsVector;AtomTypesCount:SLogPAtomTypes:ArbitrarySize;16;Nume
167 \& ricalValues;IDsAndValuesString;C1 C10 C11 C14 C18 C20 C21 C22 C5 CS F
168 \& N11 N4 O10 O2 O9;5 1 1 1 14 4 2 1 2 2 1 1 1 1 3 1
169 \&
170 \& FingerprintsVector;AtomTypesCount:SLogPAtomTypes:FixedSize;67;OrderedN
171 \& umericalValues;IDsAndValuesString;C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C
172 \& 12 C13 C14 C15 C16 C17 C18 C19 C20 C21 C22 C23 C24 C25 C26 C27 CS N1 N
173 \& 2 N3 N4 N5 N6 N7 N8 N9 N10 N11 N12 N13 N14 NS O1 O2 O3 O4 O5 O6 O7 O8
174 \& O9 O10 O11 O12 OS F Cl Br I Hal P S1 S2 S3 Me1 Me2;5 0 0 0 2 0 0 0 0 1
175 \& 1 0 0 1 0 0 0 14 0 4 2 1 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0...
176 \&
177 \& FingerprintsVector;EStateIndicies:ArbitrarySize;11;NumericalValues;IDs
178 \& AndValuesString;SaaCH SaasC SaasN SdO SdssC SsCH3 SsF SsOH SssCH2 SssN
179 \& H SsssCH;24.778 4.387 1.993 25.023 \-1.435 3.975 14.006 29.759 \-0.073 3
180 \& .024 \-2.270
181 \&
182 \& FingerprintsVector;EStateIndicies:FixedSize;87;OrderedNumericalValues;
183 \& ValuesString;0 0 0 0 0 0 0 3.975 0 \-0.073 0 0 24.778 \-2.270 0 0 \-1.435
184 \& 4.387 0 0 0 0 0 0 3.024 0 0 0 0 0 0 0 1.993 0 29.759 25.023 0 0 0 0 1
185 \& 4.006 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
186 \& 0 0 0 0 0 0 0 0 0 0 0 0 0 0
187 \&
188 \& FingerprintsVector;ExtendedConnectivity:AtomicInvariantsAtomTypes:Radi
189 \& us2;60;AlphaNumericalValues;ValuesString;73555770 333564680 352413391
190 \& 666191900 1001270906 1371674323 1481469939 1977749791 2006158649 21414
191 \& 08799 49532520 64643108 79385615 96062769 273726379 564565671 85514103
192 \& 5 906706094 988546669 1018231313 1032696425 1197507444 1331250018 1338
193 \& 532734 1455473691 1607485225 1609687129 1631614296 1670251330 17303...
194 \&
195 \& FingerprintsVector;ExtendedConnectivityCount:AtomicInvariantsAtomTypes
196 \& :Radius2;60;NumericalValues;IDsAndValuesString;73555770 333564680 3524
197 \& 13391 666191900 1001270906 1371674323 1481469939 1977749791 2006158649
198 \& 2141408799 49532520 64643108 79385615 96062769 273726379 564565671...;
199 \& 3 2 1 1 14 1 2 10 4 3 1 1 1 1 2 1 2 1 1 1 2 3 1 1 2 1 3 3 8 2 2 2 6 2
200 \& 1 2 1 1 2 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1
201 \&
202 \& FingerprintsBitVector;ExtendedConnectivityBits:AtomicInvariantsAtomTyp
203 \& es:Radius2;1024;BinaryString;Ascending;0000000000000000000000000000100
204 \& 0000000001010000000110000011000000000000100000000000000000000000100001
205 \& 1000000110000000000000000000000000010011000000000000000000000000010000
206 \& 0000000000000000000000000010000000000000000001000000000000000000000000
207 \& 0000000000010000100001000000000000101000000000000000100000000000000...
208 \&
209 \& FingerprintsVector;ExtendedConnectivity:FunctionalClassAtomTypes:Radiu
210 \& s2;57;AlphaNumericalValues;ValuesString;24769214 508787397 850393286 8
211 \& 62102353 981185303 1231636850 1649386610 1941540674 263599683 32920567
212 \& 1 571109041 639579325 683993318 723853089 810600886 885767127 90326012
213 \& 7 958841485 981022393 1126908698 1152248391 1317567065 1421489994 1455
214 \& 632544 1557272891 1826413669 1983319256 2015750777 2029559552 20404...
215 \&
216 \& FingerprintsVector;ExtendedConnectivity:EStateAtomTypes:Radius2;62;Alp
217 \& haNumericalValues;ValuesString;25189973 528584866 662581668 671034184
218 \& 926543080 1347067490 1738510057 1759600920 2034425745 2097234755 21450
219 \& 44754 96779665 180364292 341712110 345278822 386540408 387387308 50430
220 \& 1706 617094135 771528807 957666640 997798220 1158349170 1291258082 134
221 \& 1138533 1395329837 1420277211 1479584608 1486476397 1487556246 1566...
222 \&
223 \& FingerprintsBitVector;MACCSKeyBits;166;BinaryString;Ascending;00000000
224 \& 0000000000000000000000000000000001001000010010000000010010000000011100
225 \& 0100101010111100011011000100110110000011011110100110111111111111011111
226 \& 11111111111110111000
227 \&
228 \& FingerprintsBitVector;MACCSKeyBits;322;BinaryString;Ascending;11101011
229 \& 1110011111100101111111000111101100110000000000000011100010000000000000
230 \& 0000000000000000000000000000000000000000000000101000000000000000000000
231 \& 0000000000000000000000000000000000000000000000000000000000000000000000
232 \& 0000000000000000000000000000000000000011000000000000000000000000000000
233 \& 0000000000000000000000000000000000000000
234 \&
235 \& FingerprintsVector;MACCSKeyCount;166;OrderedNumericalValues;ValuesStri
236 \& ng;0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
237 \& 0 0 0 0 0 0 0 1 0 0 3 0 0 0 0 4 0 0 2 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0
238 \& 0 0 0 0 1 1 8 0 0 0 1 0 0 1 0 1 0 1 0 3 1 3 1 0 0 0 1 2 0 11 1 0 0 0
239 \& 5 0 0 1 2 0 1 1 0 0 0 0 0 1 1 0 1 1 1 1 0 4 0 0 1 1 0 4 6 1 1 1 2 1 1
240 \& 3 5 2 2 0 5 3 5 1 1 2 5 1 2 1 2 4 8 3 5 5 2 2 0 3 5 4 1
241 \&
242 \& FingerprintsVector;MACCSKeyCount;322;OrderedNumericalValues;ValuesStri
243 \& ng;14 8 2 0 2 0 4 4 2 1 4 0 0 2 5 10 5 2 1 0 0 2 0 5 13 3 28 5 5 3 0 0
244 \& 0 4 2 1 1 0 1 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22 5 3 0 0 0 1 0
245 \& 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
246 \& 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11 0 2 0 0 0 0 0 0 0 0 0
247 \& 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ...
248 \&
249 \& FingerprintsBitVector;PathLengthBits:AtomicInvariantsAtomTypes:MinLeng
250 \& th1:MaxLength8;1024;BinaryString;Ascending;001000010011010101011000110
251 \& 0100010101011000101001011100110001000010001001101000001001001001001000
252 \& 0010110100000111001001000001001010100100100000000011000000101001011100
253 \& 0010000001000101010100000100111100110111011011011000000010110111001101
254 \& 0101100011000000010001000011000010100011101100001000001000100000000...
255 \&
256 \& FingerprintsVector;PathLengthCount:AtomicInvariantsAtomTypes:MinLength
257 \& 1:MaxLength8;432;NumericalValues;IDsAndValuesPairsString;C.X1.BO1.H3 2
258 \& C.X2.BO2.H2 4 C.X2.BO3.H1 14 C.X3.BO3.H1 3 C.X3.BO4 10 F.X1.BO1 1 N.X
259 \& 2.BO2.H1 1 N.X3.BO3 1 O.X1.BO1.H1 3 O.X1.BO2 2 C.X1.BO1.H3C.X3.BO3.H1
260 \& 2 C.X2.BO2.H2C.X2.BO2.H2 1 C.X2.BO2.H2C.X3.BO3.H1 4 C.X2.BO2.H2C.X3.BO
261 \& 4 1 C.X2.BO2.H2N.X3.BO3 1 C.X2.BO3.H1:C.X2.BO3.H1 10 C.X2.BO3.H1:C....
262 \&
263 \& FingerprintsVector;PathLengthCount:MMFF94AtomTypes:MinLength1:MaxLengt
264 \& h8;463;NumericalValues;IDsAndValuesPairsString;C5A 2 C5B 2 C=ON 1 CB 1
265 \& 8 COO 1 CR 9 F 1 N5 1 NC=O 1 O=CN 1 O=CO 1 OC=O 1 OR 2 C5A:C5B 2 C5A:N
266 \& 5 2 C5ACB 1 C5ACR 1 C5B:C5B 1 C5BC=ON 1 C5BCB 1 C=ON=O=CN 1 C=ONNC=O 1
267 \& CB:CB 18 CBF 1 CBNC=O 1 COO=O=CO 1 COOCR 1 COOOC=O 1 CRCR 7 CRN5 1 CR
268 \& OR 2 C5A:C5B:C5B 2 C5A:C5BC=ON 1 C5A:C5BCB 1 C5A:N5:C5A 1 C5A:N5CR ...
269 \&
270 \& FingerprintsVector;TopologicalAtomPairs:AtomicInvariantsAtomTypes:MinD
271 \& istance1:MaxDistance10;223;NumericalValues;IDsAndValuesString;C.X1.BO1
272 \& .H3\-D1\-C.X3.BO3.H1 C.X2.BO2.H2\-D1\-C.X2.BO2.H2 C.X2.BO2.H2\-D1\-C.X3.BO3.
273 \& H1 C.X2.BO2.H2\-D1\-C.X3.BO4 C.X2.BO2.H2\-D1\-N.X3.BO3 C.X2.BO3.H1\-D1\-...;
274 \& 2 1 4 1 1 10 8 1 2 6 1 2 2 1 2 1 2 2 1 2 1 5 1 10 12 2 2 1 2 1 9 1 3 1
275 \& 1 1 2 2 1 3 6 1 6 14 2 2 2 3 1 3 1 8 2 2 1 3 2 6 1 2 2 5 1 3 1 23 1...
276 \&
277 \& FingerprintsVector;TopologicalAtomPairs:FunctionalClassAtomTypes:MinDi
278 \& stance1:MaxDistance10;144;NumericalValues;IDsAndValuesString;Ar\-D1\-Ar
279 \& Ar\-D1\-Ar.HBA Ar\-D1\-HBD Ar\-D1\-Hal Ar\-D1\-None Ar.HBA\-D1\-None HBA\-D1\-NI H
280 \& BA\-D1\-None HBA.HBD\-D1\-NI HBA.HBD\-D1\-None HBD\-D1\-None NI\-D1\-None No...;
281 \& 23 2 1 1 2 1 1 1 1 2 1 1 7 28 3 1 3 2 8 2 1 1 1 5 1 5 24 3 3 4 2 13 4
282 \& 1 1 4 1 5 22 4 4 3 1 19 1 1 1 1 1 2 2 3 1 1 8 25 4 5 2 3 1 26 1 4 1 ...
283 \&
284 \& FingerprintsVector;TopologicalAtomTorsions:AtomicInvariantsAtomTypes;3
285 \& 3;NumericalValues;IDsAndValuesString;C.X1.BO1.H3\-C.X3.BO3.H1\-C.X3.BO4\-
286 \& C.X3.BO4 C.X1.BO1.H3\-C.X3.BO3.H1\-C.X3.BO4\-N.X3.BO3 C.X2.BO2.H2\-C.X2.BO
287 \& 2.H2\-C.X3.BO3.H1\-C.X2.BO2.H2 C.X2.BO2.H2\-C.X2.BO2.H2\-C.X3.BO3.H1\-O...;
288 \& 2 2 1 1 2 2 1 1 3 4 4 8 4 2 2 6 2 2 1 2 1 1 2 1 1 2 6 2 4 2 1 3 1
289 \&
290 \& FingerprintsVector;TopologicalAtomTorsions:EStateAtomTypes;36;Numerica
291 \& lValues;IDsAndValuesString;aaCH\-aaCH\-aaCH\-aaCH aaCH\-aaCH\-aaCH\-aasC aaC
292 \& H\-aaCH\-aasC\-aaCH aaCH\-aaCH\-aasC\-aasC aaCH\-aaCH\-aasC\-sF aaCH\-aaCH\-aasC\-
293 \& ssNH aaCH\-aasC\-aasC\-aasC aaCH\-aasC\-aasC\-aasN aaCH\-aasC\-ssNH\-dssC a...;
294 \& 4 4 8 4 2 2 6 2 2 2 4 3 2 1 3 3 2 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2
295 \&
296 \& FingerprintsVector;TopologicalAtomTriplets:AtomicInvariantsAtomTypes:M
297 \& inDistance1:MaxDistance10;3096;NumericalValues;IDsAndValuesString;C.X1
298 \& .BO1.H3\-D1\-C.X1.BO1.H3\-D1\-C.X3.BO3.H1\-D2 C.X1.BO1.H3\-D1\-C.X2.BO2.H2\-D1
299 \& 0\-C.X3.BO4\-D9 C.X1.BO1.H3\-D1\-C.X2.BO2.H2\-D3\-N.X3.BO3\-D4 C.X1.BO1.H3\-D1
300 \& \-C.X2.BO2.H2\-D4\-C.X2.BO2.H2\-D5 C.X1.BO1.H3\-D1\-C.X2.BO2.H2\-D6\-C.X3....;
301 \& 1 2 2 2 2 2 2 2 8 8 4 8 4 4 2 2 2 2 4 2 2 2 4 2 2 2 2 1 2 2 4 4 4 2 2
302 \& 2 4 4 4 8 4 4 2 4 4 4 2 4 4 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 8...
303 \&
304 \& FingerprintsVector;TopologicalAtomTriplets:SYBYLAtomTypes:MinDistance1
305 \& :MaxDistance10;2332;NumericalValues;IDsAndValuesString;C.2\-D1\-C.2\-D9\-C
306 \& .3\-D10 C.2\-D1\-C.2\-D9\-C.ar\-D10 C.2\-D1\-C.3\-D1\-C.3\-D2 C.2\-D1\-C.3\-D10\-C.3\-
307 \& D9 C.2\-D1\-C.3\-D2\-C.3\-D3 C.2\-D1\-C.3\-D2\-C.ar\-D3 C.2\-D1\-C.3\-D3\-C.3\-D4 C.2
308 \& \-D1\-C.3\-D3\-N.ar\-D4 C.2\-D1\-C.3\-D3\-O.3\-D2 C.2\-D1\-C.3\-D4\-C.3\-D5 C.2\-D1\-C.
309 \& 3\-D5\-C.3\-D6 C.2\-D1\-C.3\-D5\-O.3\-D4 C.2\-D1\-C.3\-D6\-C.3\-D7 C.2\-D1\-C.3\-D7...
310 \&
311 \& FingerprintsVector;TopologicalPharmacophoreAtomPairs:ArbitrarySize:Min
312 \& Distance1:MaxDistance10;54;NumericalValues;IDsAndValuesString;H\-D1\-H H
313 \& \-D1\-NI HBA\-D1\-NI HBD\-D1\-NI H\-D2\-H H\-D2\-HBA H\-D2\-HBD HBA\-D2\-HBA HBA\-D2\-
314 \& HBD H\-D3\-H H\-D3\-HBA H\-D3\-HBD H\-D3\-NI HBA\-D3\-NI HBD\-D3\-NI H\-D4\-H H\-D4\-H
315 \& BA H\-D4\-HBD HBA\-D4\-HBA HBA\-D4\-HBD HBD\-D4\-HBD H\-D5\-H H\-D5\-HBA H\-D5\-...;
316 \& 18 1 2 1 22 12 8 1 2 18 6 3 1 1 1 22 13 6 5 7 2 28 9 5 1 1 1 36 16 10
317 \& 3 4 1 37 10 8 1 35 10 9 3 3 1 28 7 7 4 18 16 12 5 1 2 1
318 \&
319 \& FingerprintsVector;TopologicalPharmacophoreAtomPairs:FixedSize:MinDist
320 \& ance1:MaxDistance10;150;OrderedNumericalValues;ValuesString;18 0 0 1 0
321 \& 0 0 2 0 0 1 0 0 0 0 22 12 8 0 0 1 2 0 0 0 0 0 0 0 0 18 6 3 1 0 0 0 1
322 \& 0 0 1 0 0 0 0 22 13 6 0 0 5 7 0 0 2 0 0 0 0 0 28 9 5 1 0 0 0 1 0 0 1 0
323 \& 0 0 0 36 16 10 0 0 3 4 0 0 1 0 0 0 0 0 37 10 8 0 0 0 0 1 0 0 0 0 0 0
324 \& 0 35 10 9 0 0 3 3 0 0 1 0 0 0 0 0 28 7 7 4 0 0 0 0 0 0 0 0 0 0 0 18...
325 \&
326 \& FingerprintsVector;TopologicalPharmacophoreAtomTriplets:ArbitrarySize:
327 \& MinDistance1:MaxDistance10;696;NumericalValues;IDsAndValuesString;Ar1\-
328 \& Ar1\-Ar1 Ar1\-Ar1\-H1 Ar1\-Ar1\-HBA1 Ar1\-Ar1\-HBD1 Ar1\-H1\-H1 Ar1\-H1\-HBA1 Ar1
329 \& \-H1\-HBD1 Ar1\-HBA1\-HBD1 H1\-H1\-H1 H1\-H1\-HBA1 H1\-H1\-HBD1 H1\-HBA1\-HBA1 H1\-
330 \& HBA1\-HBD1 H1\-HBA1\-NI1 H1\-HBD1\-NI1 HBA1\-HBA1\-NI1 HBA1\-HBD1\-NI1 Ar1\-...;
331 \& 46 106 8 3 83 11 4 1 21 5 3 1 2 2 1 1 1 100 101 18 11 145 132 26 14 23
332 \& 28 3 3 5 4 61 45 10 4 16 20 7 5 1 3 4 5 3 1 1 1 1 5 4 2 1 2 2 2 1 1 1
333 \& 119 123 24 15 185 202 41 25 22 17 3 5 85 95 18 11 23 17 3 1 1 6 4 ...
334 \&
335 \& FingerprintsVector;TopologicalPharmacophoreAtomTriplets:FixedSize:MinD
336 \& istance1:MaxDistance10;2692;OrderedNumericalValues;ValuesString;46 106
337 \& 8 3 0 0 83 11 4 0 0 0 1 0 0 0 0 0 0 0 0 21 5 3 0 0 1 2 2 0 0 1 0 0 0
338 \& 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 101 18 11 0 0 145 132 26
339 \& 14 0 0 23 28 3 3 0 0 5 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 61 45 10 4 0
340 \& 0 16 20 7 5 1 0 3 4 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 5 ...
341 .Ve
342 .SH "FUNCTIONS"
343 .IX Header "FUNCTIONS"
344 .IP "\fBAreFingerprintsStringValuesValid\fR" 4
345 .IX Item "AreFingerprintsStringValuesValid"
346 .Vb 1
347 \& $Status = AreFingerprintsStringValuesValid($FPString);
348 .Ve
349 .Sp
350 Returns 0 or 1 based on whether \fIFingerprintsString\fR contains valid values.
351 .IP "\fBGetDefaultBitStringFormat\fR" 4
352 .IX Item "GetDefaultBitStringFormat"
353 .Vb 1
354 \& $BitStringFormat = GetDefaultBitStringFormat();
355 .Ve
356 .Sp
357 Returns default \fBBitStringFormat\fR for fingerprints bit-vector strings.
358 .IP "\fBGetDefaultBitsOrder\fR" 4
359 .IX Item "GetDefaultBitsOrder"
360 .Vb 1
361 \& $BitsOrder = GetDefaultBitsOrder();
362 .Ve
363 .Sp
364 Returns default \fBBitsOrder\fR for fingerprints bit-vector fingerprints.
365 .IP "\fBGetDefaultVectorStringFormat\fR" 4
366 .IX Item "GetDefaultVectorStringFormat"
367 .Vb 1
368 \& $StringFormat = GetDefaultVectorStringFormat();
369 .Ve
370 .Sp
371 Returns default \fBVectorStringFormat\fR for fingerprints vector strings.
372 .IP "\fBGetFingeprintsStringDelimiter\fR" 4
373 .IX Item "GetFingeprintsStringDelimiter"
374 .Vb 1
375 \& $Delimiter = GetFingeprintsStringDelimiter();
376 .Ve
377 .Sp
378 Returns string \fBDelimiter\fR used to generate fingerprints bit-vector and vector strings.
379 .IP "\fBGenerateFingerprintsBitVectorString\fR" 4
380 .IX Item "GenerateFingerprintsBitVectorString"
381 .Vb 2
382 \& $FPString = GenerateFingerprintsBitVectorString($FPBitVectorObject,
383 \& [$BitStringFormat, $BitsOrder]);
384 .Ve
385 .Sp
386 Returns a \fBFingerprintsString\fR generated using \fIFingerprintsBitVectorObject\fR and
387 optionally specified \fIBitStringFormat\fR and \fIBitsOrder\fR values.
388 .Sp
389 Possible \fIBitStringFormat\fR values: \fIBinaryString, Binary, Bin, HexadecimalString,
390 Hexadecimal, or Hex\fR. Default \fIBitStringFormat\fR value: \fIBinaryString\fR.
391 .Sp
392 Possible \fIBitsOrder\fR values: \fIAscending or Descending\fR. Default \fIBitsOrder\fR value:
393 \&\fIAscending\fR.
394 .IP "\fBGenerateFingerprintsVectorString\fR" 4
395 .IX Item "GenerateFingerprintsVectorString"
396 .Vb 2
397 \& $FPString = GenerateFingerprintsVectorString($FPVectorObject,
398 \& [$VectorStringFormat]);
399 .Ve
400 .Sp
401 Returns a \fBFingerprintsString\fR generated using \fIFingerprintsVectorObject\fR and optionally
402 specified \fIVectorStringFormat\fR.
403 .Sp
404 Possible \fIVectorStringFormat\fR values: \fIIDsAndValuesString, IDsAndValues,
405 IDsAndValuesPairsString, IDsAndValuesPairs, ValuesAndIDsString, ValuesAndIDs,
406 ValuesAndIDsPairsString, ValuesAndIDsPairs, ValuesString, Values\fR.
407 .Sp
408 Default \fIVectorStringFormat\fR value: for \fINumericalValues\fR \fIFPVectorType\fR \-
409 \&\fIIDsAndValuesString\fR; for all other \fIFPVectorType\fRs \- \fIValuesString\fR.
410 .IP "\fBGenerateFingerprintsString\fR" 4
411 .IX Item "GenerateFingerprintsString"
412 .Vb 2
413 \& $FPString = GenerateFingerprintsBitVectorString($FPBitVectorObject,
414 \& [$BitStringFormat, $BitsOrder]);
415 \&
416 \& $FPString = GenerateFingerprintsVectorString($FPVectorObject,
417 \& [$VectorStringFormat]);
418 .Ve
419 .Sp
420 Returns a \fBFingerprintsString\fR generated using \fIFingerprintsBitVectorObject\fR or
421 \&\fIFingerprintsVectorObject\fR and optionally specified parameters.
422 .IP "\fBGetFingerprintsStringTypeAndDescription\fR" 4
423 .IX Item "GetFingerprintsStringTypeAndDescription"
424 .Vb 2
425 \& ($FPType, $FPDescription) = GetFingerprintsStringTypeAndDescription(
426 \& $FPString);
427 .Ve
428 .Sp
429 Returns \fBFingerprintsStringType\fR and \fIFingerprintsStringDescription\fR strings for
430 \&\fBFingerprintsString\fR corresponding to \fBFingerprintsBitVectorObject\fR or
431 \&\fBFingerprintsVectorObject\fR.
432 .IP "\fBGetFingerprintsStringValues\fR" 4
433 .IX Item "GetFingerprintsStringValues"
434 .Vb 1
435 \& @FPStringValues = GetFingerprintsStringValues($FPString);
436 .Ve
437 .Sp
438 Parses \fBFingerprintsString\fR corresponding to \fBFingerprintsBitVectorObject\fR or
439 \&\fBFingerprintsVectorObject\fR and returns its individual component values as an
440 array.
441 .IP "\fBParseFingerprintsBitVectorString\fR" 4
442 .IX Item "ParseFingerprintsBitVectorString"
443 .Vb 2
444 \& $FPBitVectorObject = ParseFingerprintsBitVectorString($FPBitVectorString,
445 \& [$ValidateValues]);
446 .Ve
447 .Sp
448 Returns \fBFingerprintsBitVectorObject\fR generated by parsing \fIFingerprintsBitVectorString\fR
449 with optional validation of its component values.
450 .IP "\fBParseFingerprintsString\fR" 4
451 .IX Item "ParseFingerprintsString"
452 .Vb 2
453 \& $FPBitVectorObject = ParseFingerprintsBitVectorString($FPBitVectorString,
454 \& [$ValidateValues]);
455 \&
456 \& $FPVectorObject = ParseFingerprintsVectorString($FPVectorString,
457 \& [$ValidateValues]);
458 .Ve
459 .Sp
460 Returns \fBFingerprintsBitVectorObject\fR or \fI\f(BIFingerprintsVectorObject\fI\fR generated
461 by parsing \fIFingerprintsBitVectorString\fR or \fIFingerprintsVectorString\fR with
462 optional validation of its component values.
463 .IP "\fBParseFingerprintsVectorString\fR" 4
464 .IX Item "ParseFingerprintsVectorString"
465 .Vb 2
466 \& $FPVectorObject = ParseFingerprintsVectorString($FPVectorString,
467 \& [$ValidateValues]);
468 .Ve
469 .Sp
470 Returns \fBFingerprintsVectorObject\fR generated by parsing \fIFingerprintsVectorString\fR
471 with optional validation of its component values.
472 .SH "AUTHOR"
473 .IX Header "AUTHOR"
474 Manish Sud <msud@san.rr.com>
475 .SH "SEE ALSO"
476 .IX Header "SEE ALSO"
477 BitVector.pm, FingerprintsBitVector.pm, FingerprintsVector.pm, Vector.pm
478 .SH "COPYRIGHT"
479 .IX Header "COPYRIGHT"
480 Copyright (C) 2015 Manish Sud. All rights reserved.
481 .PP
482 This file is part of MayaChemTools.
483 .PP
484 MayaChemTools is free software; you can redistribute it and/or modify it under
485 the terms of the \s-1GNU\s0 Lesser General Public License as published by the Free
486 Software Foundation; either version 3 of the License, or (at your option)
487 any later version.