RDKit
Open-source cheminformatics and machine learning.
ChemicalFeature.h
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//
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// Copyright (C) 2004-2008 Greg Landrum and 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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#include <
RDGeneral/export.h
>
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#ifndef __CHEMICALFEATURE_H_11012005_1310__
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#define __CHEMICALFEATURE_H_11012005_1310__
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#include <
Geometry/point.h
>
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namespace
ChemicalFeatures
{
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//------------------------------------------------------------------
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//! abstract base class for chemical feature
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class
ChemicalFeature
{
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public
:
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ChemicalFeature
(){};
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virtual
~ChemicalFeature
(){};
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// returns the feature id
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virtual
int
getId
()
const
= 0;
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// returns the type of the feature
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virtual
const
std::string&
getType
()
const
= 0;
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// returns the family of the feature
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virtual
const
std::string&
getFamily
()
const
= 0;
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// returns the position of the feature
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virtual
RDGeom::Point3D
getPos
()
const
= 0;
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};
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}
// namespace ChemicalFeatures
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#endif
ChemicalFeatures::ChemicalFeature::~ChemicalFeature
virtual ~ChemicalFeature()
Definition:
ChemicalFeature.h:22
point.h
ChemicalFeatures
Definition:
ChemicalFeature.h:15
ChemicalFeatures::ChemicalFeature::ChemicalFeature
ChemicalFeature()
Definition:
ChemicalFeature.h:21
RDGeom::Point3D
Definition:
point.h:46
ChemicalFeatures::ChemicalFeature
abstract base class for chemical feature
Definition:
ChemicalFeature.h:19
ChemicalFeatures::ChemicalFeature::getPos
virtual RDGeom::Point3D getPos() const =0
ChemicalFeatures::ChemicalFeature::getId
virtual int getId() const =0
ChemicalFeatures::ChemicalFeature::getType
virtual const std::string & getType() const =0
ChemicalFeatures::ChemicalFeature::getFamily
virtual const std::string & getFamily() const =0
export.h
ChemicalFeatures
ChemicalFeature.h
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