sc::VDWShape Class Reference

The VDWShape class describes the surface of a molecule as the union of atom centered spheres, each the van der Waals radius of the atom. More...

#include <molshape.h>

Inheritance diagram for sc::VDWShape:

sc::UnionShape sc::Shape sc::Volume sc::Function sc::SavableState sc::Compute sc::DescribedClass sc::RefCount sc::Identity List of all members.

Public Member Functions

 VDWShape (const Ref< Molecule > &)
 VDWShape (const Ref< KeyVal > &)
void initialize (const Ref< Molecule > &)

Detailed Description

The VDWShape class describes the surface of a molecule as the union of atom centered spheres, each the van der Waals radius of the atom.


The documentation for this class was generated from the following file:
Generated at Mon Dec 3 23:23:47 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.