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

This class contains information common to one type of atom.

#include <iSGPAR.h>

List of all members.

Public Member Functions

 AtomType ()
 AtomType (int a, std::string b, std::string c)

Public Attributes

std::string name
std::vector< Real > mass
std::vector< Real > charge
std::vector< int > stageNumber
std::string symbolName

Constructor & Destructor Documentation

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

ProtoMol::iSGPAR::AtomType::AtomType (  int  a,
std::string  b,
std::string  c
)  [inline]
 

constructor for iSGMD simulations that creates memory for all identities

Member Data Documentation

std::vector<Real> ProtoMol::iSGPAR::AtomType::charge
 

This atomtype's charge for each of its identities.

std::vector<Real> ProtoMol::iSGPAR::AtomType::mass
 

The masses of this atom type.

std::string ProtoMol::iSGPAR::AtomType::name
 

The name of this atom type.

std::vector<int> ProtoMol::iSGPAR::AtomType::stageNumber
 

The particular transformation stage in which this atom's identity is to be transformed.

std::string ProtoMol::iSGPAR::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.