#include <BALL/QSAR/surfaceBase.h>
Public Member Functions | |
Constructors and Destructors | |
SurfaceBase () | |
SurfaceBase (const SurfaceBase &sb) | |
SurfaceBase (const String &name) | |
SurfaceBase (const String &name, const String &unit) | |
virtual | ~SurfaceBase () |
Assignment | |
SurfaceBase & | operator= (const SurfaceBase &sb) |
Protected Member Functions | |
Predicates | |
bool | isValid_ (AtomContainer &ac) |
Accessors | |
| |
void | computeAllDescriptors (AtomContainer &ac) |
void | calculate_ (AtomContainer &ac) |
Generic QSAR molecular surface descriptors class \
Definition at line 18 of file surfaceBase.h.
BALL::SurfaceBase::SurfaceBase | ( | ) |
Default constructor
BALL::SurfaceBase::SurfaceBase | ( | const SurfaceBase & | sb | ) |
Copy constructor
BALL::SurfaceBase::SurfaceBase | ( | const String & | name | ) |
Named constructor
virtual BALL::SurfaceBase::~SurfaceBase | ( | ) | [virtual] |
Destructor
void BALL::SurfaceBase::calculate_ | ( | AtomContainer & | ac | ) | [protected, virtual] |
Reimplemented from BALL::Descriptor.
void BALL::SurfaceBase::computeAllDescriptors | ( | AtomContainer & | ac | ) |
bool BALL::SurfaceBase::isValid_ | ( | AtomContainer & | ac | ) | [protected, virtual] |
Reimplemented from BALL::Descriptor.
SurfaceBase& BALL::SurfaceBase::operator= | ( | const SurfaceBase & | sb | ) |
Assignment operator