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

#include <PSF.h>

List of all members.

Public Member Functions

 Improper ()
 Improper (int a, int b, int c, int d, int e)

Public Attributes

int number
int atom1
int atom2
int atom3
int atom4

Detailed Description

This structure holds data for a basic .psf improper. The data stored includes the improper number and the numbers of the four atoms involved.

Constructor & Destructor Documentation

ProtoMol::PSF::Improper::Improper (   )  [inline]
 

ProtoMol::PSF::Improper::Improper (  int  a,
int  b,
int  c,
int  d,
int  e
)  [inline]
 

Member Data Documentation

int ProtoMol::PSF::Improper::atom1
 

improper atom 1 number

int ProtoMol::PSF::Improper::atom2
 

improper atom 2 number

int ProtoMol::PSF::Improper::atom3
 

improper atom 3 number

int ProtoMol::PSF::Improper::atom4
 

improper atom 4 number

int ProtoMol::PSF::Improper::number
 

improper number

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.