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OutOfPlaneSite Class Reference

This is a VirtualSite that computes the particle location based on three other particles' locations. More...

#include <VirtualSite.h>

+ Inheritance diagram for OutOfPlaneSite:

Public Member Functions

 OutOfPlaneSite (int particle1, int particle2, int particle3, double weight12, double weight13, double weightCross)
 Create a new OutOfPlaneSite virtual site.
 
double getWeight12 () const
 Get the weight factor for the vector from particle1 to particle2.
 
double getWeight13 () const
 Get the weight factor for the vector from particle1 to particle3.
 
double getWeightCross () const
 Get the weight factor for the cross product.
 
- Public Member Functions inherited from VirtualSite
virtual ~VirtualSite ()
 
int getNumParticles () const
 Get the number of particles this virtual site depends on.
 
int getParticle (int particle) const
 Get the index of a particle this virtual site depends on.
 

Additional Inherited Members

- Protected Member Functions inherited from VirtualSite
 VirtualSite ()
 
void setParticles (const std::vector< int > &particleIndices)
 

Detailed Description

This is a VirtualSite that computes the particle location based on three other particles' locations.

If r1 is the location of particle 1, r12 is the vector from particle 1 to particle 2, and r13 is the vector from particle 1 to particle 3, then the virtual site location is given by

r1 + w12r12 + w13r13 + wcross(r12 x r13)

The three weight factors are user-specified. This allows the virtual site location to be out of the plane of the three particles.

Constructor & Destructor Documentation

OutOfPlaneSite ( int  particle1,
int  particle2,
int  particle3,
double  weight12,
double  weight13,
double  weightCross 
)

Create a new OutOfPlaneSite virtual site.

Parameters
particle1the index of the first particle
particle2the index of the second particle
particle3the index of the third particle
weight12the weight factor for the vector from particle1 to particle2
weight13the weight factor for the vector from particle1 to particle3
weightCrossthe weight factor for the cross product

Member Function Documentation

double getWeight12 ( ) const

Get the weight factor for the vector from particle1 to particle2.

double getWeight13 ( ) const

Get the weight factor for the vector from particle1 to particle3.

double getWeightCross ( ) const

Get the weight factor for the cross product.


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