BALL
1.4.2
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#include <BALL/QSAR/surfaceDescriptors.h>
Additional Inherited Members | |
Public Types inherited from BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
typedef Processor::Result | result_type |
typedef AtomContainer | argument_type |
typedef AtomContainer & | argument_reference |
typedef const AtomContainer & | const_argument_reference |
typedef AtomContainer * | argument_pointer |
typedef const AtomContainer * | const_argument_pointer |
Protected Member Functions inherited from BALL::SurfaceBase | |
bool | isValid_ (AtomContainer &ac) |
void | calculate_ (AtomContainer &ac) |
This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, of the hydrophobic atoms.
Definition at line 167 of file surfaceDescriptors.h.
BALL::HydrophobicVdWSurface::HydrophobicVdWSurface | ( | ) |
Default constructor
BALL::HydrophobicVdWSurface::HydrophobicVdWSurface | ( | const HydrophobicVdWSurface & | hs | ) |
Copy constructor
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virtual |
Destructor
HydrophobicVdWSurface& BALL::HydrophobicVdWSurface::operator= | ( | const HydrophobicVdWSurface & | hs | ) |
Assignment operator