BALL::SurfaceBase Class Reference
#include <BALL/QSAR/surfaceBase.h>
Inheritance diagram for BALL::SurfaceBase:
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) |
Detailed Description
Generic QSAR molecular surface descriptors class \
Definition at line 18 of file surfaceBase.h.
Constructor & Destructor Documentation
| 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
Member Function Documentation
| 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
