RDKit: ChemicalFeature.h Source File

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ChemicalFeature.h
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1//
2// Copyright (C) 2004-2008 Greg Landrum and Rational Discovery LLC
3//
4// @@ All Rights Reserved @@
5// This file is part of the RDKit.
6// The contents are covered by the terms of the BSD license
7// which is included in the file license.txt, found at the root
8// of the RDKit source tree.
9//
10#include <RDGeneral/export.h>
11#ifndef __CHEMICALFEATURE_H_11012005_1310__
12#define __CHEMICALFEATURE_H_11012005_1310__
13
14#include <Geometry/point.h>
15 namespace ChemicalFeatures {
16
17//------------------------------------------------------------------
18//! abstract base class for chemical feature
19 class ChemicalFeature {
20 public:
21 ChemicalFeature() {}
22 virtual ~ChemicalFeature() {}
23
24 // returns the feature id
25 virtual int getId() const = 0;
26
27 // returns the type of the feature
28 virtual const std::string &getType() const = 0;
29
30 // returns the family of the feature
31 virtual const std::string &getFamily() const = 0;
32
33 // returns the position of the feature
34 virtual RDGeom::Point3D getPos() const = 0;
35};
36} // namespace ChemicalFeatures
37
38#endif
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:53
export.h
ChemicalFeatures
Definition ChemicalFeature.h:15
point.h