Loading...
Searching...
No Matches
connectivityDescriptors.h
Go to the documentation of this file.
// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
//
#ifndef BALL_QSAR_CONNECTIVITYDESCRIPTORS_H
#define BALL_QSAR_CONNECTIVITYDESCRIPTORS_H
#ifndef BALL_QSAR_CONNECTIVITYBASE_H
# include <BALL/QSAR/connectivityBase.h>
#endif
namespace BALL
{
// 2 connectivity descriptors
class BALL_EXPORT ZagrebIndex
: public ConnectivityBase
{
public:
BALL_CREATE(ZagrebIndex)
ZagrebIndex();
ZagrebIndex(const ZagrebIndex& zi);
virtual ~ZagrebIndex();
ZagrebIndex& operator = (const ZagrebIndex& zi);
double compute(AtomContainer& ac);
};
class BALL_EXPORT BalabanIndexJ
: public ConnectivityBase
{
public:
BALL_CREATE(BalabanIndexJ)
BalabanIndexJ();
BalabanIndexJ(const BalabanIndexJ& bij);
virtual ~BalabanIndexJ();
BalabanIndexJ& operator = (const BalabanIndexJ& bij);
};
} // namespace BALL
#endif // BALL_QSAR_CONNECTIVITYDESCRIPTORS_H
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
BALL::AtomContainer
Definition atomContainer.h:32
BALL::BalabanIndexJ::BalabanIndexJ
BalabanIndexJ()
BALL::ConnectivityBase::ConnectivityBase
ConnectivityBase()
BALL::ZagrebIndex::ZagrebIndex
ZagrebIndex()
BALL::ZagrebIndex::compute
double compute(AtomContainer &ac)
connectivityBase.h
BALL_CREATE
#define BALL_CREATE(name)
Definition create.h:62
BALL
Definition constants.h:13