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 #ifndef __CHEMICALFEATURE_H_11012005_1310__
11 #define __CHEMICALFEATURE_H_11012005_1310__
12
13 #include <Geometry/point.h>
14 namespace ChemicalFeatures {
15
16 //------------------------------------------------------------------
17 //! abstract base class for chemical feature
18 class ChemicalFeature {
19 public:
20 ChemicalFeature(){};
21 virtual ~ChemicalFeature(){};
22
23 // returns the feature id
24 virtual int getId() const = 0;
25
26 // returns the type of the feature
27 virtual const std::string& getType() const = 0;
28
29 // returns the family of the feature
30 virtual const std::string& getFamily() const = 0;
31
32 // returns the position of the feature
33 virtual RDGeom::Point3D getPos() const = 0;
34 };
35 }
36
37 #endif
ChemicalFeatures::ChemicalFeature::ChemicalFeature
ChemicalFeature()
Definition: ChemicalFeature.h:20
point.h
ChemicalFeatures::ChemicalFeature::getPos
virtual RDGeom::Point3D getPos() const =0
ChemicalFeatures::ChemicalFeature
abstract base class for chemical feature
Definition: ChemicalFeature.h:18
ChemicalFeatures::ChemicalFeature::getId
virtual int getId() const =0
RDGeom::Point3D
Definition: point.h:45
ChemicalFeatures::ChemicalFeature::getType
virtual const std::string & getType() const =0
ChemicalFeatures::ChemicalFeature::getFamily
virtual const std::string & getFamily() const =0
ChemicalFeatures
Definition: ChemicalFeature.h:14
ChemicalFeatures::ChemicalFeature::~ChemicalFeature
virtual ~ChemicalFeature()
Definition: ChemicalFeature.h:21