sc::Volume Class Reference

A Volume is a Function of three variables. More...

#include <volume.h>

Inheritance diagram for sc::Volume:

sc::Function sc::SavableState sc::Compute sc::DescribedClass sc::RefCount sc::Identity sc::BatchElectronDensity sc::ElectronDensity sc::Shape sc::ConnollyShape sc::UnionShape sc::DiscreteConnollyShape sc::VDWShape List of all members.

Public Member Functions

 Volume (const Ref< KeyVal > &)
void set_gradient (const SCVector3 &g)
void set_gradient (RefSCVector &g)
void get_gradient (SCVector3 &g)
void set_x (const SCVector3 &x)
void set_x (const RefSCVector &x)
 Set and retrieve the coordinate values.
void get_x (SCVector3 &x)
virtual void boundingbox (double valuemin, double valuemax, SCVector3 &p1, SCVector3 &p2)=0
virtual void interpolate (const SCVector3 &p1, const SCVector3 &p2, double value, SCVector3 &result)
virtual void solve (const SCVector3 &p, const SCVector3 &grad, double value, SCVector3 &result)

Protected Member Functions

double & interpolation_accuracy ()
virtual void compute ()=0
 Recompute at least the results that have compute true and are not already computed.
virtual void failure (const char *)

Detailed Description

A Volume is a Function of three variables.


Member Function Documentation

virtual void sc::Volume::compute (  )  [protected, pure virtual]

Recompute at least the results that have compute true and are not already computed.

This should only be called by Result's members.

Implements sc::Compute.

Implemented in sc::ElectronDensity, sc::BatchElectronDensity, and sc::Shape.


The documentation for this class was generated from the following files:
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