ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
Main Page | Namespace List | Class Hierarchy | Alphabetical List | Class List | File List | Namespace Members | Class Members | File Members

ProtoMol::PAR::Bond Struct Reference

#include <PAR.h>

List of all members.

Public Member Functions

 Bond ()
 Bond (int a, std::string b, std::string c, Real d, Real e)

Public Attributes

int number
std::string atom1
std::string atom2
Real forceConstant
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 constant and the distance.

Constructor & Destructor Documentation

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

ProtoMol::PAR::Bond::Bond (  int  a,
std::string  b,
std::string  c,
Real  d,
Real  e
)  [inline]
 

Friends And Related Function Documentation

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

Member Data Documentation

std::string ProtoMol::PAR::Bond::atom1
 

atom 1 number

std::string ProtoMol::PAR::Bond::atom2
 

atom 2 number

Real ProtoMol::PAR::Bond::distance
 

distance

Real ProtoMol::PAR::Bond::forceConstant
 

force constant

int ProtoMol::PAR::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.