RDKit
Open-source cheminformatics and machine learning.
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 {
16  public:
19  unsigned int getDist(unsigned char v1, unsigned char v2,
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 };
28 }
29 #endif
DiscreteDistMat * getDiscreteDistMat()
DiscreteValueType
used to define the possible range of the values
unsigned int getDist(unsigned char v1, unsigned char v2, DiscreteValueVect::DiscreteValueType type)
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:29