RDKit
Open-source cheminformatics and machine learning.
BitVectUtils.h
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1 //
2 // Copyright (c) 2002-2006 greg Landrum, Rational Discovery LLC
3 //
4 // @@ All Rights Reserved @@
5 // This file is part of the RDKit.
6 // The contents are covered by the terms of the BSD license
7 // which is included in the file license.txt, found at the root
8 // of the RDKit source tree.
9 //
10 #include <RDGeneral/export.h>
11 #ifndef __RD_BITVECTS_UTILS_H__
12 #define __RD_BITVECTS_UTILS_H__
13 
14 #include "BitVects.h"
15 #include <string>
16 
17 //! \brief Construct a BitVect from the ASCII representation of a
18 //! Daylight fingerprint string
19 template <typename T>
20 RDKIT_DATASTRUCTS_EXPORT void FromDaylightString(T &sbv, const std::string &s);
21 
22 //! \brief Construct a BitVect from the ASCII representation of a
23 //! bit string (i.e. a bunch of zeros and ones)
24 template <typename T>
25 RDKIT_DATASTRUCTS_EXPORT void FromBitString(T &sbv, const std::string &s);
26 
27 //! Convert a SparseBitVector to an ExplicitBitVector
28 /*!
29  \return a pointer to an ExplicitBitVector
30  <b>Note:</b> the caller is responsible for <tt>delete</tt>ing this.
31 
32  */
34 #endif
Pulls in all the BitVect classes.
a class for bit vectors that are sparsely occupied.
Definition: SparseBitVect.h:34
#define RDKIT_DATASTRUCTS_EXPORT
Definition: export.h:112
RDKIT_DATASTRUCTS_EXPORT ExplicitBitVect * convertToExplicit(const SparseBitVect *sbv)
Convert a SparseBitVector to an ExplicitBitVector.
RDKIT_DATASTRUCTS_EXPORT void FromDaylightString(T &sbv, const std::string &s)
Construct a BitVect from the ASCII representation of a Daylight fingerprint string.
a class for bit vectors that are densely occupied
RDKIT_DATASTRUCTS_EXPORT void FromBitString(T &sbv, const std::string &s)
Construct a BitVect from the ASCII representation of a bit string (i.e. a bunch of zeros and ones) ...