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

#include <PSF.h>

List of all members.

Public Member Functions

 Bond ()
 Bond (int a, int b, int c)

Public Attributes

int number
int atom1
int atom2

Detailed Description

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

Constructor & Destructor Documentation

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

ProtoMol::PSF::Bond::Bond (  int  a,
int  b,
int  c
)  [inline]
 

Member Data Documentation

int ProtoMol::PSF::Bond::atom1
 

bonded atom 1 number

int ProtoMol::PSF::Bond::atom2
 

bonded atom 2 number

int ProtoMol::PSF::Bond::number
 

bond 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.