ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::AtomType Struct Reference

#include <AtomType.h>

List of all members.

Public Member Functions

 AtomType ()

Public Attributes

std::string name
Real mass
Real charge
std::string symbolName

Detailed Description

This class contains information common to one type of atom. This currently only includes the name and mass of the atom type. The Lennard-Jones parameters are stored in the LennardJonesParameterTable structure.

Constructor & Destructor Documentation

ProtoMol::AtomType::AtomType (   )  [inline]
 

Member Data Documentation

Real ProtoMol::AtomType::charge
 

The charge of this atom type.

Real ProtoMol::AtomType::mass
 

The mass of this atom type.

std::string ProtoMol::AtomType::name
 

The name of this atom type.

std::string ProtoMol::AtomType::symbolName
 

The symbol untity name of this atom type.

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