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ChemicalFeature.h
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//
// Copyright (C) 2004-2008 Greg Landrum and 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.
//
#include <RDGeneral/export.h>
#ifndef __CHEMICALFEATURE_H_11012005_1310__
#define __CHEMICALFEATURE_H_11012005_1310__
#include <Geometry/point.h>
namespace ChemicalFeatures {
//------------------------------------------------------------------
//! abstract base class for chemical feature
class ChemicalFeature {
public:
ChemicalFeature() {}
virtual ~ChemicalFeature() {}
// returns the feature id
virtual int getId() const = 0;
// returns the type of the feature
virtual const std::string& getType() const = 0;
// returns the family of the feature
virtual const std::string& getFamily() const = 0;
// returns the position of the feature
virtual RDGeom::Point3D getPos() const = 0;
};
} // namespace ChemicalFeatures
#endif
ChemicalFeatures::ChemicalFeature
abstract base class for chemical feature
Definition ChemicalFeature.h:19
ChemicalFeatures::ChemicalFeature::getType
virtual const std::string & getType() const =0
ChemicalFeatures::ChemicalFeature::~ChemicalFeature
virtual ~ChemicalFeature()
Definition ChemicalFeature.h:22
ChemicalFeatures::ChemicalFeature::getPos
virtual RDGeom::Point3D getPos() const =0
ChemicalFeatures::ChemicalFeature::ChemicalFeature
ChemicalFeature()
Definition ChemicalFeature.h:21
ChemicalFeatures::ChemicalFeature::getFamily
virtual const std::string & getFamily() const =0
ChemicalFeatures::ChemicalFeature::getId
virtual int getId() const =0
RDGeom::Point3D
Definition point.h:54
export.h
ChemicalFeatures
Definition ChemicalFeature.h:15
point.h