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surfaceBase.h
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// -*- Mode: C++; tab-width: 2: -*-
// vi: set ts=2:
//
//
#ifndef BALL_QSAR_SURFACEBASE_H
#define BALL_QSAR_SURFACEBASE_H
#ifndef BALL_QSAR_DESCRIPTOR_H
#include <BALL/QSAR/descriptor.h>
#endif
namespace BALL
{
class BALL_EXPORT SurfaceBase
: public Descriptor
{
public:
BALL_CREATE(SurfaceBase)
SurfaceBase();
SurfaceBase(const SurfaceBase& sb);
SurfaceBase(const String& name);
SurfaceBase(const String& name, const String& unit);
virtual ~SurfaceBase();
void computeAllDescriptors(AtomContainer& ac);
SurfaceBase& operator = (const SurfaceBase& sb);
protected:
bool isValid_(AtomContainer& ac);
void calculate_(AtomContainer& ac);
};
} // namespace BALL
#endif
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
sb
sb
Definition GAFFTypeProcessor.h:72
BALL::AtomContainer
Definition atomContainer.h:32
BALL::Descriptor::Descriptor
Descriptor()
BALL::String
Definition string.h:57
BALL::SurfaceBase::calculate_
void calculate_(AtomContainer &ac)
BALL::SurfaceBase::isValid_
bool isValid_(AtomContainer &ac)
BALL::SurfaceBase::SurfaceBase
SurfaceBase()
BALL::SurfaceBase::computeAllDescriptors
void computeAllDescriptors(AtomContainer &ac)
BALL_CREATE
#define BALL_CREATE(name)
Definition create.h:62
descriptor.h
BALL
Definition constants.h:13