mdtools/md_code/Molecule.cpp

#include <cstdlib>

#include "Molecule.hpp"


Molecule::Molecule( int theNMembers, Atom **atomStart ){
  
  nMembers = theNMembers;
  myAtoms = atomStart;

  nBonds = 0;
  nBends = 0;
  nTorsions = 0;
}


void Molecule::setBonds( int theNBonds, Bond** bondStart ){
  nBonds = theNBonds;
  myBonds = bondStart;
}

void Molecule::setBends( int theNBends, Bend** bendStart ){
  nBends = theNBends;
  myBends = bendStart;
}

void Molecule::setTorsions( int theNTorsions, Torsion** torsionStart ){
  nTorsions = theNTorsions;
  myTorsions = torsionStart;
}
Revision:	114
Committed:	Mon Sep 23 15:13:10 2002 UTC (21 years, 11 months ago) by mmeineke
Original Path:	*trunk/mdtools/md_code/Molecule.cpp*
File size:	554 byte(s)
Log Message:	starting work on the molecule class starting to add in the molecule class adding in the molecule class
#	Content
1	#include <cstdlib>
2
3	#include "Molecule.hpp"
4
5
6
7
8	Molecule::Molecule( int theNMembers, Atom **atomStart ){
9
10	nMembers = theNMembers;
11	myAtoms = atomStart;
12
13	nBonds = 0;
14	nBends = 0;
15	nTorsions = 0;
16	}
17
18
19	void Molecule::setBonds( int theNBonds, Bond** bondStart ){
20	nBonds = theNBonds;
21	myBonds = bondStart;
22	}
23
24	void Molecule::setBends( int theNBends, Bend** bendStart ){
25	nBends = theNBends;
26	myBends = bendStart;
27	}
28
29	void Molecule::setTorsions( int theNTorsions, Torsion** torsionStart ){
30	nTorsions = theNTorsions;
31	myTorsions = torsionStart;
32	}