File: ChemicalFeature.h

package info (click to toggle)
rdkit 201809.1%2Bdfsg-6
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 123,688 kB
  • sloc: cpp: 230,509; python: 70,501; java: 6,329; ansic: 5,427; sql: 1,899; yacc: 1,739; lex: 1,243; makefile: 445; xml: 229; fortran: 183; sh: 123; cs: 93
file content (38 lines) | stat: -rw-r--r-- 1,021 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
//
//  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;
};
}

#endif