Main Page | Modules | Namespace List | Class Hierarchy | Class List | Namespace Members | Class Members

RelHydrophobicVdWSurface Class Reference

This descriptor returns the fraction of the atomic SAS van der Waals surface, where the atoms are hydrophobic. More...

#include <surfaceDescriptors.h>

Inheritance diagram for RelHydrophobicVdWSurface:

SurfaceBase Descriptor UnaryProcessor< AtomContainer > UnaryFunctor< AtomContainer, Processor::Result > List of all members.

Public Member Functions

 RelHydrophobicVdWSurface ()
 Default constructor.
 RelHydrophobicVdWSurface (const RelHydrophobicVdWSurface &rhs)
 Copy Constructor.
virtual ~RelHydrophobicVdWSurface ()
 Destructor.
Assignment
RelHydrophobicVdWSurface & operator= (const RelHydrophobicVdWSurface &rhs)
 Assignment operator.
Accessors
double compute (AtomContainer &ac)

Detailed Description

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.