ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::LennardJonesParameterTable Class Reference

#include <LennardJonesParameterTable.h>

List of all members.

Public Member Functions

 LennardJonesParameterTable ()
 ~LennardJonesParameterTable ()
void resize (int count)
void set (int type1, int type2, const LennardJonesParameters &params)
const LennardJonesParameters & operator() (int type1, int type2) const
int size () const

Private Attributes

int myCurrentSize
LennardJonesParameters * myData

Detailed Description

This table contains the Lennard-Jones parameters for all atom type pairs. It is guaranteed to be symmetric.

Constructor & Destructor Documentation

ProtoMol::LennardJonesParameterTable::LennardJonesParameterTable (   ) 
 

ProtoMol::LennardJonesParameterTable::~LennardJonesParameterTable (   ) 
 

Member Function Documentation

const LennardJonesParameters& ProtoMol::LennardJonesParameterTable::operator() (  int  type1,
int  type2
)  const [inline]
 

Get the parameters for one pair of atom types.

void ProtoMol::LennardJonesParameterTable::resize (  int  count  ) 
 

Set the number of atom types whose information is stored in the table.

void ProtoMol::LennardJonesParameterTable::set (  int  type1,
int  type2,
const LennardJonesParameters &  params
) 
 

int ProtoMol::LennardJonesParameterTable::size (   )  const [inline]
 

Get the current size of the table - 5/25/01 TMC.

Member Data Documentation

int ProtoMol::LennardJonesParameterTable::myCurrentSize [private]
 

LennardJonesParameters* ProtoMol::LennardJonesParameterTable::myData [private]
 

Data contains a triangular array. Each row is one element longer than the previous one.

The documentation for this class was generated from the following files: Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.