RDKit: DiscreteDistMat.h Source File

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DiscreteDistMat.h
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1 //
2 // Copyright (C) 2004-2006 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 #ifndef __RD_DISCRETEDISTMAT_H__
11 #define __RD_DISCRETEDISTMAT_H__
12 #include "DiscreteValueVect.h"
13
14 namespace RDKit {
15 class DiscreteDistMat {
16 public:
17 DiscreteDistMat();
18 ~DiscreteDistMat(){};
19 unsigned int getDist(unsigned char v1, unsigned char v2,
20 DiscreteValueVect::DiscreteValueType type);
21
22 private:
23 unsigned int d_oneBitTab[256 * 256];
24 unsigned int d_twoBitTab[256 * 256];
25 unsigned int d_fourBitTab[256 * 256];
26 };
27 extern DiscreteDistMat *getDiscreteDistMat();
28 }
29 #endif
RDKit::getDiscreteDistMat
DiscreteDistMat * getDiscreteDistMat()
RDKit::DiscreteValueVect::DiscreteValueType
DiscreteValueType
used to define the possible range of the values
Definition: DiscreteValueVect.h:28
RDKit::DiscreteDistMat::getDist
unsigned int getDist(unsigned char v1, unsigned char v2, DiscreteValueVect::DiscreteValueType type)
RDKit::DiscreteDistMat::~DiscreteDistMat
~DiscreteDistMat()
Definition: DiscreteDistMat.h:18
RDKit::DiscreteDistMat
Definition: DiscreteDistMat.h:15
RDKit::DiscreteDistMat::DiscreteDistMat
DiscreteDistMat()
RDKit
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:28
DiscreteValueVect.h