RDKit
Open-source cheminformatics and machine learning.
ChemicalFeature.h
Go to the documentation of this file.
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
19  public:
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
virtual RDGeom::Point3D getPos() const =0
abstract base class for chemical feature
virtual int getId() const =0
virtual const std::string & getType() const =0
virtual const std::string & getFamily() const =0