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.\" ========================================================================
.\"
.IX Title "FINGERPRINTS 1"
.TH FINGERPRINTS 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"
Fingerprints \- Fingerprints class
.SH "SYNOPSIS"
.IX Header "SYNOPSIS"
use Fingerprints::Fingerprints;
.PP
use Fingerprints::Fingerprints qw(:all);
.SH "DESCRIPTION"
.IX Header "DESCRIPTION"
\&\fBFingerprints\fR class provides the following methods:
.PP
new, FoldFingerprintsByBitDensity, FoldFingerprintsBySize,
GetFingerprintBitsAsBinaryString, GetFingerprintBitsAsHexadecimalString,
GetFingerprintBitsAsRawBinaryString, GetFingerprintsVectorValueIDs,
GetFingerprintsVectorValues, IsFingerprintsGenerationSuccessful,
SetFingerprintsBitVector, SetFingerprintsVector, SetFingerprintsVectorType,
SetMolecule, SetSize, SetType, SetVectorType
.PP
\&\fBFingerprints\fR class is used as a base class for various specific fingerprint classes such as
\&\fBAtomNeighborhoodsFingerprints\fR, \fBAtomTypesFingerprints\fR, \fBEStateIndiciesFingerprints\fR,
\&\fBPathLengthFingerprints\fR, \fBExtendedConnectivityFingerprints\fR, \fBMACCSKeys\fR and so on.
It implements functionality common to fingerprint classes.
.PP
\&\fBFingerprints\fR class is  derived from \fBObjectProperty\fR base class which provides methods not
explicitly defined in \fBFingerprints\fR or \fBObjectProperty\fR classes using Perl's \s-1AUTOLOAD\s0 functionality.
These methods are generated on-the-fly for a specified object property:
.PP
.Vb 3
\&    Set<PropertyName>(<PropertyValue>);
\&    $PropertyValue = Get<PropertyName>();
\&    Delete<PropertyName>();
.Ve
.PP
\&\fBFingerprints\fR class uses \fBFingerprintsBitVector\fR class to provide bits manipulation functionality.
.SS "\s-1METHODS\s0"
.IX Subsection "METHODS"
.IP "\fBnew\fR" 4
.IX Item "new"
.Vb 1
\&    $NewFingerprints = new Fingerprints(%NamesAndValues);
.Ve
.Sp
Using specified \fIFingerprints\fR property names and values hash, \fBnew\fR method creates a new object
and returns a reference to newly created \fBFingerprints\fR object. By default, following properties are
initialized:
.Sp
.Vb 9
\&    Molecule = \*(Aq\*(Aq;
\&    Type = \*(Aq\*(Aq;
\&    VectorType = \*(Aq\*(Aq;
\&    Size = \*(Aq\*(Aq;
\&    MinSize = \*(Aq\*(Aq;
\&    MaxSize = \*(Aq\*(Aq;
\&    FingerprintsBitVector = \*(Aq\*(Aq;
\&    FingerprintsVectorType = \*(Aq\*(Aq;
\&    FingerprintsVector = \*(Aq\*(Aq;
.Ve
.IP "\fBFoldFingerprintsByBitDensity\fR" 4
.IX Item "FoldFingerprintsByBitDensity"
.Vb 1
\&    $Fingerprints\->FoldFingerprintsByBitDensity($BitDensity);
.Ve
.Sp
Folds fingerprints by recursively reducing its size by half until bit density is greater than or equal to
specified \fIBitDensity\fR and returns \fIFingerprints\fR.
.IP "\fBFoldFingerprintsBySize\fR" 4
.IX Item "FoldFingerprintsBySize"
.Vb 1
\&    $Fingerprints\->FoldFingerprintsBySize($Size, [$CheckSizeValue]);
.Ve
.Sp
Fold fingerprints by recursively reducing its size by half until size is less than or equal to specified
\&\fISize\fR and returns \fIFingerprints\fR. By default, value \fISize\fR is checked to make sure it's:
.Sp
.Vb 1
\&    >= MinSize and < Size and IsPowerOfTwo
.Ve
.IP "\fBGetFingerprintBitsAsBinaryString\fR" 4
.IX Item "GetFingerprintBitsAsBinaryString"
.Vb 2
\&    $BinaryASCIIString =
\&       $Fingerprints\->GetFingerprintBitsAsBinaryString();
.Ve
.Sp
Returns fingerprints as a binary \s-1ASCII\s0 string containing 0s and 1s.
.IP "\fBGetFingerprintBitsAsHexadecimalString\fR" 4
.IX Item "GetFingerprintBitsAsHexadecimalString"
.Vb 2
\&    $HexadecimalString =
\&       $Fingerprints\->GetFingerprintBitsAsHexadecimalString();
.Ve
.Sp
Returns fingerprints as a hexadecimal string
.IP "\fBGetFingerprintBitsAsRawBinaryString\fR" 4
.IX Item "GetFingerprintBitsAsRawBinaryString"
.Vb 2
\&    $RawBinaryString =
\&       $Fingerprints\->GetFingerprintBitsAsRawBinaryString();
.Ve
.Sp
Returns fingerprints as a raw binary string containing packed bit values for each byte.
.IP "\fBGetFingerprintsVectorValueIDs\fR" 4
.IX Item "GetFingerprintsVectorValueIDs"
.Vb 2
\&    $ValueIDsRef = $Fingerprints\->GetFingerprintsVectorValueIDs();
\&    @ValueIDs = $Fingerprints\->GetFingerprintsVectorValueIDs();
.Ve
.Sp
Returns fingerprints vector value IDs as an array or reference to an array.
.IP "\fBGetFingerprintsVectorValues\fR" 4
.IX Item "GetFingerprintsVectorValues"
.Vb 2
\&    $ValuesRef = $Fingerprints\->GetFingerprintsVectorValues();
\&    @Values = $Fingerprints\->GetFingerprintsVectorValues();
.Ve
.Sp
Returns fingerprints vector values as an array or reference to an array.
.IP "\fBIsFingerprintsGenerationSuccessful\fR" 4
.IX Item "IsFingerprintsGenerationSuccessful"
.Vb 1
\&    $Return = $Fingerprints\->IsFingerprintsGenerationSuccessful();
.Ve
.Sp
Returns 1 or 0 based on whether fingerprints were successfully generated.
.IP "\fBSetFingerprintsBitVector\fR" 4
.IX Item "SetFingerprintsBitVector"
.Vb 1
\&    $Fingerprints\->SetFingerprintsBitVector($FingerprintsBitVector);
.Ve
.Sp
Sets \fIFingerprintsBitVector\fR object for \fIFingerprints\fR and returns \fIFingerprints\fR.
.IP "\fBSetFingerprintsVector\fR" 4
.IX Item "SetFingerprintsVector"
.Vb 1
\&    $Fingerprints\->SetFingerprintsVector();
.Ve
.Sp
Sets \fIFingerprintsVector\fR object for \fIFingerprints\fR and returns \fIFingerprints\fR.
.IP "\fBSetFingerprintsVectorType\fR" 4
.IX Item "SetFingerprintsVectorType"
.Vb 1
\&    $Fingerprints\->SetFingerprintsVectorType($VectorType);
.Ve
.Sp
Sets \fIFingerprintsVector\fR type for \fIFingerprints\fR and returns \fIFingerprints\fR. Possible
\&\fIVectorType\fR values: \fIOrderedNumericalValues, NumericalValues or AlphaNumericalValues\fR.
.IP "\fBSetMolecule\fR" 4
.IX Item "SetMolecule"
.Vb 1
\&    $Fingerprints\->SetMolecule($Molecule);
.Ve
.Sp
Sets \fIMolecule\fR object for \fIFingerprints\fR and returns \fIFingerprints\fR.
.IP "\fBSetSize\fR" 4
.IX Item "SetSize"
.Vb 1
\&    $Fingerprints\->SetSize($Size);
.Ve
.Sp
Sets \fISize\fR of fingerprints and returns \fIFingerprints\fR.
.IP "\fBSetType\fR" 4
.IX Item "SetType"
.Vb 1
\&    $Fingerprints\->SetType($Type);
.Ve
.Sp
Sets \fIType\fR of fingerprints and returns \fIFingerprints\fR.
.IP "\fBSetVectorType\fR" 4
.IX Item "SetVectorType"
.Vb 1
\&    $Fingerprints\->SetVectorType($Type);
.Ve
.Sp
Sets \fIType\fR of fingerprints vector and returns \fIFingerprints\fR. Possible \fIType\fR values:
\&\fIFingerprintsBitVector or FingerprintsVector\fR.
.SH "AUTHOR"
.IX Header "AUTHOR"
Manish Sud <[e-mail]>
.SH "SEE ALSO"
.IX Header "SEE ALSO"
FingerprintsStringUtil.pm, AtomNeighborhoodsFingerprints.pm, AtomTypesFingerprints.pm,
EStateIndiciesFingerprints.pm, ExtendedConnectivityFingerprints.pm, MACCSKeys.pm,
PathLengthFingerprints.pm, TopologicalAtomPairsFingerprints.pm, TopologicalAtomTripletsFingerprints.pm,
TopologicalAtomTorsionsFingerprints.pm, TopologicalPharmacophoreAtomPairsFingerprints.pm,
TopologicalPharmacophoreAtomTripletsFingerprints.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.