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

This structure holds data for hydrogen bonds, including the well depth and the minimum radius.

#include <PAR.h>

List of all members.

Public Member Functions

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

Public Attributes

int number
std::string atom1
std::string atom2
Real emin
Real rmin

Friends

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

Constructor & Destructor Documentation

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

ProtoMol::PAR::Hbond::Hbond (  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 Hbond &  p
)  [friend]
 

Member Data Documentation

std::string ProtoMol::PAR::Hbond::atom1
 

atom 1 number

std::string ProtoMol::PAR::Hbond::atom2
 

atom 2 number

Real ProtoMol::PAR::Hbond::emin
 

well depth

int ProtoMol::PAR::Hbond::number
 

hydrogen bond number

Real ProtoMol::PAR::Hbond::rmin
 

minimum radius

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.