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

#include <iSGPAR.h>

List of all members.

Public Member Functions

 Bond ()
 Bond (int a)

Public Attributes

int number
std::string atom1
std::string atom2
std::vector< Real > forceConstant
std::vector< Real > distance

Friends

Report::MyStreamer & operator<< (Report::MyStreamer &OS, const Bond &p)

Detailed Description

This structure holds data for a bond, including the bond number, the two atoms involved, the force constants and the distances.

Constructor & Destructor Documentation

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

ProtoMol::iSGPAR::Bond::Bond (  int  a  )  [inline]
 

Constructor for iSGMD simulations that creates memory for all identities.

Friends And Related Function Documentation

Report::MyStreamer& operator<< (  Report::MyStreamer &  OS,
const Bond &  p
)  [friend]
 

Member Data Documentation

std::string ProtoMol::iSGPAR::Bond::atom1
 

atom 1 number

std::string ProtoMol::iSGPAR::Bond::atom2
 

atom 2 number

std::vector<Real> ProtoMol::iSGPAR::Bond::distance
 

distances

std::vector<Real> ProtoMol::iSGPAR::Bond::forceConstant
 

force constants

int ProtoMol::iSGPAR::Bond::number
 

iSGbond 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.