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

#include <PSF.h>

List of all members.

Public Member Functions

void clear ()

Public Attributes

std::vector< Atom > atoms
std::vector< Bond > bonds
std::vector< Angle > angles
std::vector< Dihedral > dihedrals
std::vector< Improper > impropers
std::vector< Donor > donors
std::vector< Acceptor > acceptors
std::vector< Nonbonded > nonbondeds
std::vector< Ngrp > ngrp

Detailed Description

PSF container holding the topology of the system

Member Function Documentation

void ProtoMol::PSF::clear (   ) 
 

Member Data Documentation

std::vector<Acceptor> ProtoMol::PSF::acceptors
 

std::vector<Angle> ProtoMol::PSF::angles
 

std::vector<Atom> ProtoMol::PSF::atoms
 

std::vector<Bond> ProtoMol::PSF::bonds
 

std::vector<Dihedral> ProtoMol::PSF::dihedrals
 

std::vector<Donor> ProtoMol::PSF::donors
 

std::vector<Improper> ProtoMol::PSF::impropers
 

std::vector<Ngrp> ProtoMol::PSF::ngrp
 

std::vector<Nonbonded> ProtoMol::PSF::nonbondeds
 

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.