RDKit
Open-source cheminformatics and machine learning.
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
20  public:
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::~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