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