Mercurial > repos > deepakjadmin > mayatool3_test3

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.\" ========================================================================
.\"
.IX Title "FINGERPRINTSSTRINGUTIL 1"
.TH FINGERPRINTSSTRINGUTIL 1 "2015-03-29" "perl v5.14.2" "MayaChemTools"
.\" For nroff, turn off justification.  Always turn off hyphenation; it makes
.\" way too many mistakes in technical documents.
.if n .ad l
.nh
.SH "NAME"
FingerprintsStringUtil
.SH "SYNOPSIS"
.IX Header "SYNOPSIS"
use Fingerprints::FingerprintsStringUtil;
.PP
use Fingerprints::FingerprintsStringUtil qw(:all);
.SH "DESCRIPTION"
.IX Header "DESCRIPTION"
\&\fBFingerprintsStringUtil\fR module provides the following functions:
.PP
AreFingerprintsStringValuesValid, GenerateFingerprintsBitVectorString,
GenerateFingerprintsString, GenerateFingerprintsVectorString,
GetDefaultBitStringFormat, GetDefaultBitsOrder, GetDefaultVectorStringFormat,
GetFingeprintsStringDelimiter, GetFingerprintsStringTypeAndDescription,
GetFingerprintsStringValues, ParseFingerprintsBitVectorString,
ParseFingerprintsString, ParseFingerprintsVectorString
.PP
The current release of MayaChemTools supports the following types of fingerprint
bit-vector and vector strings:
.PP
.Vb 6
\&    FingerprintsVector;AtomNeighborhoods:AtomicInvariantsAtomTypes:MinRadi
\&    us0:MaxRadius2;41;AlphaNumericalValues;ValuesString;NR0\-C.X1.BO1.H3\-AT
\&    C1:NR1\-C.X3.BO3.H1\-ATC1:NR2\-C.X1.BO1.H3\-ATC1:NR2\-C.X3.BO4\-ATC1 NR0\-C.X
\&    1.BO1.H3\-ATC1:NR1\-C.X3.BO3.H1\-ATC1:NR2\-C.X1.BO1.H3\-ATC1:NR2\-C.X3.BO4\-A
\&    TC1 NR0\-C.X2.BO2.H2\-ATC1:NR1\-C.X2.BO2.H2\-ATC1:NR1\-C.X3.BO3.H1\-ATC1:NR2
\&    \-C.X2.BO2.H2\-ATC1:NR2\-N.X3.BO3\-ATC1:NR2\-O.X1.BO1.H1\-ATC1 NR0\-C.X2.B...
\&
\&    FingerprintsVector;AtomTypesCount:AtomicInvariantsAtomTypes:ArbitraryS
\&    ize;10;NumericalValues;IDsAndValuesString;C.X1.BO1.H3 C.X2.BO2.H2 C.X2
\&    .BO3.H1 C.X3.BO3.H1 C.X3.BO4 F.X1.BO1 N.X2.BO2.H1 N.X3.BO3 O.X1.BO1.H1
\&    O.X1.BO2;2 4 14 3 10 1 1 1 3 2
\&
\&    FingerprintsVector;AtomTypesCount:SLogPAtomTypes:ArbitrarySize;16;Nume
\&    ricalValues;IDsAndValuesString;C1 C10 C11 C14 C18 C20 C21 C22 C5 CS F
\&    N11 N4 O10 O2 O9;5 1 1 1 14 4 2 1 2 2 1 1 1 1 3 1
\&
\&    FingerprintsVector;AtomTypesCount:SLogPAtomTypes:FixedSize;67;OrderedN
\&    umericalValues;IDsAndValuesString;C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C
\&    12 C13 C14 C15 C16 C17 C18 C19 C20 C21 C22 C23 C24 C25 C26 C27 CS N1 N
\&    2 N3 N4 N5 N6 N7 N8 N9 N10 N11 N12 N13 N14 NS O1 O2 O3 O4 O5 O6 O7 O8
\&    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
\&    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...
\&
\&    FingerprintsVector;EStateIndicies:ArbitrarySize;11;NumericalValues;IDs
\&    AndValuesString;SaaCH SaasC SaasN SdO SdssC SsCH3 SsF SsOH SssCH2 SssN
\&    H SsssCH;24.778 4.387 1.993 25.023 \-1.435 3.975 14.006 29.759 \-0.073 3
\&    .024 \-2.270
\&
\&    FingerprintsVector;EStateIndicies:FixedSize;87;OrderedNumericalValues;
\&    ValuesString;0 0 0 0 0 0 0 3.975 0 \-0.073 0 0 24.778 \-2.270 0 0 \-1.435
\&    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
\&    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
\&    0 0 0 0 0 0 0 0 0 0 0 0 0 0
\&
\&    FingerprintsVector;ExtendedConnectivity:AtomicInvariantsAtomTypes:Radi
\&    us2;60;AlphaNumericalValues;ValuesString;73555770 333564680 352413391
\&    666191900 1001270906 1371674323 1481469939 1977749791 2006158649 21414
\&    08799 49532520 64643108 79385615 96062769 273726379 564565671 85514103
\&    5 906706094 988546669 1018231313 1032696425 1197507444 1331250018 1338
\&    532734 1455473691 1607485225 1609687129 1631614296 1670251330 17303...
\&
\&    FingerprintsVector;ExtendedConnectivityCount:AtomicInvariantsAtomTypes
\&    :Radius2;60;NumericalValues;IDsAndValuesString;73555770 333564680 3524
\&    13391 666191900 1001270906 1371674323 1481469939 1977749791 2006158649
\&    2141408799 49532520 64643108 79385615 96062769 273726379 564565671...;
\&    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
\&    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
\&
\&    FingerprintsBitVector;ExtendedConnectivityBits:AtomicInvariantsAtomTyp
\&    es:Radius2;1024;BinaryString;Ascending;0000000000000000000000000000100
\&    0000000001010000000110000011000000000000100000000000000000000000100001
\&    1000000110000000000000000000000000010011000000000000000000000000010000
\&    0000000000000000000000000010000000000000000001000000000000000000000000
\&    0000000000010000100001000000000000101000000000000000100000000000000...
\&
\&    FingerprintsVector;ExtendedConnectivity:FunctionalClassAtomTypes:Radiu
\&    s2;57;AlphaNumericalValues;ValuesString;24769214 508787397 850393286 8
\&    62102353 981185303 1231636850 1649386610 1941540674 263599683 32920567
\&    1 571109041 639579325 683993318 723853089 810600886 885767127 90326012
\&    7 958841485 981022393 1126908698 1152248391 1317567065 1421489994 1455
\&    632544 1557272891 1826413669 1983319256 2015750777 2029559552 20404...
\&
\&    FingerprintsVector;ExtendedConnectivity:EStateAtomTypes:Radius2;62;Alp
\&    haNumericalValues;ValuesString;25189973 528584866 662581668 671034184
\&    926543080 1347067490 1738510057 1759600920 2034425745 2097234755 21450
\&    44754 96779665 180364292 341712110 345278822 386540408 387387308 50430
\&    1706 617094135 771528807 957666640 997798220 1158349170 1291258082 134
\&    1138533 1395329837 1420277211 1479584608 1486476397 1487556246 1566...
\&
\&    FingerprintsBitVector;MACCSKeyBits;166;BinaryString;Ascending;00000000
\&    0000000000000000000000000000000001001000010010000000010010000000011100
\&    0100101010111100011011000100110110000011011110100110111111111111011111
\&    11111111111110111000
\&
\&    FingerprintsBitVector;MACCSKeyBits;322;BinaryString;Ascending;11101011
\&    1110011111100101111111000111101100110000000000000011100010000000000000
\&    0000000000000000000000000000000000000000000000101000000000000000000000
\&    0000000000000000000000000000000000000000000000000000000000000000000000
\&    0000000000000000000000000000000000000011000000000000000000000000000000
\&    0000000000000000000000000000000000000000
\&
\&    FingerprintsVector;MACCSKeyCount;166;OrderedNumericalValues;ValuesStri
\&    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
\&    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
\&    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
\&    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
\&    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
\&
\&    FingerprintsVector;MACCSKeyCount;322;OrderedNumericalValues;ValuesStri
\&    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
\&    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
\&    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
\&    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
\&    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 ...
\&
\&    FingerprintsBitVector;PathLengthBits:AtomicInvariantsAtomTypes:MinLeng
\&    th1:MaxLength8;1024;BinaryString;Ascending;001000010011010101011000110
\&    0100010101011000101001011100110001000010001001101000001001001001001000
\&    0010110100000111001001000001001010100100100000000011000000101001011100
\&    0010000001000101010100000100111100110111011011011000000010110111001101
\&    0101100011000000010001000011000010100011101100001000001000100000000...
\&
\&    FingerprintsVector;PathLengthCount:AtomicInvariantsAtomTypes:MinLength
\&    1:MaxLength8;432;NumericalValues;IDsAndValuesPairsString;C.X1.BO1.H3 2
\&    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
\&    2.BO2.H1 1 N.X3.BO3 1 O.X1.BO1.H1 3 O.X1.BO2 2 C.X1.BO1.H3C.X3.BO3.H1
\&    2 C.X2.BO2.H2C.X2.BO2.H2 1 C.X2.BO2.H2C.X3.BO3.H1 4 C.X2.BO2.H2C.X3.BO
\&    4 1 C.X2.BO2.H2N.X3.BO3 1 C.X2.BO3.H1:C.X2.BO3.H1 10 C.X2.BO3.H1:C....
\&
\&    FingerprintsVector;PathLengthCount:MMFF94AtomTypes:MinLength1:MaxLengt
\&    h8;463;NumericalValues;IDsAndValuesPairsString;C5A 2 C5B 2 C=ON 1 CB 1
\&    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
\&    5 2 C5ACB 1 C5ACR 1 C5B:C5B 1 C5BC=ON 1 C5BCB 1 C=ON=O=CN 1 C=ONNC=O 1
\&    CB:CB 18 CBF 1 CBNC=O 1 COO=O=CO 1 COOCR 1 COOOC=O 1 CRCR 7 CRN5 1 CR
\&    OR 2 C5A:C5B:C5B 2 C5A:C5BC=ON 1 C5A:C5BCB 1 C5A:N5:C5A 1 C5A:N5CR ...
\&
\&    FingerprintsVector;TopologicalAtomPairs:AtomicInvariantsAtomTypes:MinD
\&    istance1:MaxDistance10;223;NumericalValues;IDsAndValuesString;C.X1.BO1
\&    .H3\-D1\-C.X3.BO3.H1 C.X2.BO2.H2\-D1\-C.X2.BO2.H2 C.X2.BO2.H2\-D1\-C.X3.BO3.
\&    H1 C.X2.BO2.H2\-D1\-C.X3.BO4 C.X2.BO2.H2\-D1\-N.X3.BO3 C.X2.BO3.H1\-D1\-...;
\&    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
\&    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...
\&
\&    FingerprintsVector;TopologicalAtomPairs:FunctionalClassAtomTypes:MinDi
\&    stance1:MaxDistance10;144;NumericalValues;IDsAndValuesString;Ar\-D1\-Ar
\&    Ar\-D1\-Ar.HBA Ar\-D1\-HBD Ar\-D1\-Hal Ar\-D1\-None Ar.HBA\-D1\-None HBA\-D1\-NI H
\&    BA\-D1\-None HBA.HBD\-D1\-NI HBA.HBD\-D1\-None HBD\-D1\-None NI\-D1\-None No...;
\&    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
\&    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 ...
\&
\&    FingerprintsVector;TopologicalAtomTorsions:AtomicInvariantsAtomTypes;3
\&    3;NumericalValues;IDsAndValuesString;C.X1.BO1.H3\-C.X3.BO3.H1\-C.X3.BO4\-
\&    C.X3.BO4 C.X1.BO1.H3\-C.X3.BO3.H1\-C.X3.BO4\-N.X3.BO3 C.X2.BO2.H2\-C.X2.BO
\&    2.H2\-C.X3.BO3.H1\-C.X2.BO2.H2 C.X2.BO2.H2\-C.X2.BO2.H2\-C.X3.BO3.H1\-O...;
\&    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
\&
\&    FingerprintsVector;TopologicalAtomTorsions:EStateAtomTypes;36;Numerica
\&    lValues;IDsAndValuesString;aaCH\-aaCH\-aaCH\-aaCH aaCH\-aaCH\-aaCH\-aasC aaC
\&    H\-aaCH\-aasC\-aaCH aaCH\-aaCH\-aasC\-aasC aaCH\-aaCH\-aasC\-sF aaCH\-aaCH\-aasC\-
\&    ssNH aaCH\-aasC\-aasC\-aasC aaCH\-aasC\-aasC\-aasN aaCH\-aasC\-ssNH\-dssC a...;
\&    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
\&
\&    FingerprintsVector;TopologicalAtomTriplets:AtomicInvariantsAtomTypes:M
\&    inDistance1:MaxDistance10;3096;NumericalValues;IDsAndValuesString;C.X1
\&    .BO1.H3\-D1\-C.X1.BO1.H3\-D1\-C.X3.BO3.H1\-D2 C.X1.BO1.H3\-D1\-C.X2.BO2.H2\-D1
\&    0\-C.X3.BO4\-D9 C.X1.BO1.H3\-D1\-C.X2.BO2.H2\-D3\-N.X3.BO3\-D4 C.X1.BO1.H3\-D1
\&    \-C.X2.BO2.H2\-D4\-C.X2.BO2.H2\-D5 C.X1.BO1.H3\-D1\-C.X2.BO2.H2\-D6\-C.X3....;
\&    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
\&    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...
\&
\&    FingerprintsVector;TopologicalAtomTriplets:SYBYLAtomTypes:MinDistance1
\&    :MaxDistance10;2332;NumericalValues;IDsAndValuesString;C.2\-D1\-C.2\-D9\-C
\&    .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\-
\&    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
\&    \-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.
\&    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...
\&
\&    FingerprintsVector;TopologicalPharmacophoreAtomPairs:ArbitrarySize:Min
\&    Distance1:MaxDistance10;54;NumericalValues;IDsAndValuesString;H\-D1\-H H
\&    \-D1\-NI HBA\-D1\-NI HBD\-D1\-NI H\-D2\-H H\-D2\-HBA H\-D2\-HBD HBA\-D2\-HBA HBA\-D2\-
\&    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
\&    BA H\-D4\-HBD HBA\-D4\-HBA HBA\-D4\-HBD HBD\-D4\-HBD H\-D5\-H H\-D5\-HBA H\-D5\-...;
\&    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
\&    3 4 1 37 10 8 1 35 10 9 3 3 1 28 7 7 4 18 16 12 5 1 2 1
\&
\&    FingerprintsVector;TopologicalPharmacophoreAtomPairs:FixedSize:MinDist
\&    ance1:MaxDistance10;150;OrderedNumericalValues;ValuesString;18 0 0 1 0
\&    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
\&    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
\&    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
\&    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...
\&
\&    FingerprintsVector;TopologicalPharmacophoreAtomTriplets:ArbitrarySize:
\&    MinDistance1:MaxDistance10;696;NumericalValues;IDsAndValuesString;Ar1\-
\&    Ar1\-Ar1 Ar1\-Ar1\-H1 Ar1\-Ar1\-HBA1 Ar1\-Ar1\-HBD1 Ar1\-H1\-H1 Ar1\-H1\-HBA1 Ar1
\&    \-H1\-HBD1 Ar1\-HBA1\-HBD1 H1\-H1\-H1 H1\-H1\-HBA1 H1\-H1\-HBD1 H1\-HBA1\-HBA1 H1\-
\&    HBA1\-HBD1 H1\-HBA1\-NI1 H1\-HBD1\-NI1 HBA1\-HBA1\-NI1 HBA1\-HBD1\-NI1 Ar1\-...;
\&    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
\&    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
\&    119 123 24 15 185 202 41 25 22 17 3 5 85 95 18 11 23 17 3 1 1 6 4 ...
\&
\&    FingerprintsVector;TopologicalPharmacophoreAtomTriplets:FixedSize:MinD
\&    istance1:MaxDistance10;2692;OrderedNumericalValues;ValuesString;46 106
\&    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
\&    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
\&    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
\&    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 ...
.Ve
.SH "FUNCTIONS"
.IX Header "FUNCTIONS"
.IP "\fBAreFingerprintsStringValuesValid\fR" 4
.IX Item "AreFingerprintsStringValuesValid"
.Vb 1
\&    $Status = AreFingerprintsStringValuesValid($FPString);
.Ve
.Sp
Returns 0 or 1 based on whether \fIFingerprintsString\fR contains valid values.
.IP "\fBGetDefaultBitStringFormat\fR" 4
.IX Item "GetDefaultBitStringFormat"
.Vb 1
\&    $BitStringFormat = GetDefaultBitStringFormat();
.Ve
.Sp
Returns default \fBBitStringFormat\fR for fingerprints bit-vector strings.
.IP "\fBGetDefaultBitsOrder\fR" 4
.IX Item "GetDefaultBitsOrder"
.Vb 1
\&    $BitsOrder = GetDefaultBitsOrder();
.Ve
.Sp
Returns default \fBBitsOrder\fR for fingerprints bit-vector fingerprints.
.IP "\fBGetDefaultVectorStringFormat\fR" 4
.IX Item "GetDefaultVectorStringFormat"
.Vb 1
\&    $StringFormat = GetDefaultVectorStringFormat();
.Ve
.Sp
Returns default \fBVectorStringFormat\fR for fingerprints vector strings.
.IP "\fBGetFingeprintsStringDelimiter\fR" 4
.IX Item "GetFingeprintsStringDelimiter"
.Vb 1
\&    $Delimiter = GetFingeprintsStringDelimiter();
.Ve
.Sp
Returns string \fBDelimiter\fR used to generate fingerprints bit-vector and vector strings.
.IP "\fBGenerateFingerprintsBitVectorString\fR" 4
.IX Item "GenerateFingerprintsBitVectorString"
.Vb 2
\&    $FPString = GenerateFingerprintsBitVectorString($FPBitVectorObject,
\&                [$BitStringFormat, $BitsOrder]);
.Ve
.Sp
Returns a \fBFingerprintsString\fR generated using \fIFingerprintsBitVectorObject\fR and
optionally specified \fIBitStringFormat\fR and \fIBitsOrder\fR values.
.Sp
Possible \fIBitStringFormat\fR values: \fIBinaryString, Binary, Bin, HexadecimalString,
Hexadecimal, or Hex\fR. Default \fIBitStringFormat\fR value: \fIBinaryString\fR.
.Sp
Possible \fIBitsOrder\fR values: \fIAscending or Descending\fR. Default \fIBitsOrder\fR value:
\&\fIAscending\fR.
.IP "\fBGenerateFingerprintsVectorString\fR" 4
.IX Item "GenerateFingerprintsVectorString"
.Vb 2
\&    $FPString = GenerateFingerprintsVectorString($FPVectorObject,
\&                [$VectorStringFormat]);
.Ve
.Sp
Returns a \fBFingerprintsString\fR generated using \fIFingerprintsVectorObject\fR and optionally
specified \fIVectorStringFormat\fR.
.Sp
Possible \fIVectorStringFormat\fR values: \fIIDsAndValuesString, IDsAndValues,
IDsAndValuesPairsString, IDsAndValuesPairs, ValuesAndIDsString, ValuesAndIDs,
ValuesAndIDsPairsString, ValuesAndIDsPairs, ValuesString, Values\fR.
.Sp
Default \fIVectorStringFormat\fR value: for \fINumericalValues\fR \fIFPVectorType\fR \-
\&\fIIDsAndValuesString\fR; for all other \fIFPVectorType\fRs \- \fIValuesString\fR.
.IP "\fBGenerateFingerprintsString\fR" 4
.IX Item "GenerateFingerprintsString"
.Vb 2
\&    $FPString = GenerateFingerprintsBitVectorString($FPBitVectorObject,
\&                [$BitStringFormat, $BitsOrder]);
\&
\&    $FPString = GenerateFingerprintsVectorString($FPVectorObject,
\&                [$VectorStringFormat]);
.Ve
.Sp
Returns a \fBFingerprintsString\fR generated using \fIFingerprintsBitVectorObject\fR or
\&\fIFingerprintsVectorObject\fR and optionally specified parameters.
.IP "\fBGetFingerprintsStringTypeAndDescription\fR" 4
.IX Item "GetFingerprintsStringTypeAndDescription"
.Vb 2
\&    ($FPType, $FPDescription) = GetFingerprintsStringTypeAndDescription(
\&                                $FPString);
.Ve
.Sp
Returns \fBFingerprintsStringType\fR and \fIFingerprintsStringDescription\fR strings for
\&\fBFingerprintsString\fR corresponding to \fBFingerprintsBitVectorObject\fR or
\&\fBFingerprintsVectorObject\fR.
.IP "\fBGetFingerprintsStringValues\fR" 4
.IX Item "GetFingerprintsStringValues"
.Vb 1
\&    @FPStringValues = GetFingerprintsStringValues($FPString);
.Ve
.Sp
Parses \fBFingerprintsString\fR corresponding to \fBFingerprintsBitVectorObject\fR or
\&\fBFingerprintsVectorObject\fR and returns its individual component values as an
array.
.IP "\fBParseFingerprintsBitVectorString\fR" 4
.IX Item "ParseFingerprintsBitVectorString"
.Vb 2
\&    $FPBitVectorObject = ParseFingerprintsBitVectorString($FPBitVectorString,
\&                         [$ValidateValues]);
.Ve
.Sp
Returns \fBFingerprintsBitVectorObject\fR generated by parsing \fIFingerprintsBitVectorString\fR
with optional validation of its component values.
.IP "\fBParseFingerprintsString\fR" 4
.IX Item "ParseFingerprintsString"
.Vb 2
\&    $FPBitVectorObject = ParseFingerprintsBitVectorString($FPBitVectorString,
\&                         [$ValidateValues]);
\&
\&    $FPVectorObject = ParseFingerprintsVectorString($FPVectorString,
\&                      [$ValidateValues]);
.Ve
.Sp
Returns \fBFingerprintsBitVectorObject\fR or \fI\f(BIFingerprintsVectorObject\fI\fR generated
by parsing \fIFingerprintsBitVectorString\fR or \fIFingerprintsVectorString\fR with
optional validation of its component values.
.IP "\fBParseFingerprintsVectorString\fR" 4
.IX Item "ParseFingerprintsVectorString"
.Vb 2
\&    $FPVectorObject = ParseFingerprintsVectorString($FPVectorString,
\&                      [$ValidateValues]);
.Ve
.Sp
Returns \fBFingerprintsVectorObject\fR generated by parsing \fIFingerprintsVectorString\fR
with optional validation of its component values.
.SH "AUTHOR"
.IX Header "AUTHOR"
Manish Sud <msud@san.rr.com>
.SH "SEE ALSO"
.IX Header "SEE ALSO"
BitVector.pm, FingerprintsBitVector.pm, FingerprintsVector.pm, Vector.pm
.SH "COPYRIGHT"
.IX Header "COPYRIGHT"
Copyright (C) 2015 Manish Sud. All rights reserved.
.PP
This file is part of MayaChemTools.
.PP
MayaChemTools is free software; you can redistribute it and/or modify it under
the terms of the \s-1GNU\s0 Lesser General Public License as published by the Free
Software Foundation; either version 3 of the License, or (at your option)
any later version.
author	deepakjadmin
date	Wed, 20 Jan 2016 11:55:01 -0500
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