DiscreteDistMat.h
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//
// Copyright (C) 2004-2006 Rational Discovery LLC
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#ifndef __RD_DISCRETEDISTMAT_H__
#define __RD_DISCRETEDISTMAT_H__
#include "DiscreteValueVect.h"
namespace RDKit{
class DiscreteDistMat {
public:
DiscreteDistMat();
~DiscreteDistMat(){};
unsigned int getDist(unsigned char v1,
unsigned char v2,
DiscreteValueVect::DiscreteValueType type);
private:
unsigned int d_oneBitTab[256*256];
unsigned int d_twoBitTab[256*256];
unsigned int d_fourBitTab[256*256];
};
extern DiscreteDistMat *getDiscreteDistMat();
}
#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