BALL
1.5.0
|
#include <BALL/QSAR/surfaceDescriptors.h>
Additional Inherited Members | |
![]() | |
typedef Processor::Result | result_type |
typedef AtomContainer | argument_type |
typedef AtomContainer & | argument_reference |
typedef AtomContainer * | argument_pointer |
![]() | |
const typedef AtomContainer & | const_argument_reference |
const typedef AtomContainer * | const_argument_pointer |
![]() | |
bool | isValid_ (AtomContainer &ac) |
void | calculate_ (AtomContainer &ac) |
![]() |
This descriptor returns the fraction of the atomic SAS van der Waals surface, where the atoms are hydrophobic. It is calculated by deviding the hydrophobic van der Waals surface by the van der Waals surface of the molecule.
Definition at line 419 of file surfaceDescriptors.h.
BALL::RelHydrophobicVdWSurface::RelHydrophobicVdWSurface | ( | ) |
Constructors and Desctructors Default constructor
BALL::RelHydrophobicVdWSurface::RelHydrophobicVdWSurface | ( | const RelHydrophobicVdWSurface & | rhs | ) |
Copy Constructor
|
virtual |
Destructor
|
virtual |
Reimplemented from BALL::Descriptor.
RelHydrophobicVdWSurface& BALL::RelHydrophobicVdWSurface::operator= | ( | const RelHydrophobicVdWSurface & | rhs | ) |
Assignment operator