BALL 1.5.0
connectivityDescriptors.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4//
5
6#ifndef BALL_QSAR_CONNECTIVITYDESCRIPTORS_H
7#define BALL_QSAR_CONNECTIVITYDESCRIPTORS_H
8
9#ifndef BALL_QSAR_CONNECTIVITYBASE_H
11#endif
12
13namespace BALL
14{
15 // 2 connectivity descriptors
16
21 : public ConnectivityBase
22 {
23 public:
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40 virtual ~ZagrebIndex();
42
48 ZagrebIndex& operator = (const ZagrebIndex& zi);
50
54 double compute(AtomContainer& ac);
56 };
57
66 : public ConnectivityBase
67 {
68 public:
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85 virtual ~BalabanIndexJ();
87
93 BalabanIndexJ& operator = (const BalabanIndexJ& bij);
95 };
96
97} // namespace BALL
98
99#endif // BALL_QSAR_CONNECTIVITYDESCRIPTORS_H
100
#define BALL_CREATE(name)
Definition: create.h:62
Definition: constants.h:13
#define BALL_EXPORT
Definition: COMMON/global.h:50