/usr/include/rdkit/DataStructs/DiscreteDistMat.h is in librdkit-dev 201503-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 | //
// 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
|