%module PSFReader
%{
#include "PSFReader.h"
%}
%include "../base/Real.h"
%include "../base/PSF.h"
%include "File.h"
%include "Reader.h"
%include "PSFReader.h"

%extend ProtoMol::PSF
{
   PSFAtom getAtom(int i) {return self->atoms[i];}
   PSFBond getBond(int i) {return self->bonds[i];}
   PSFAngle getAngle(int i) {return self->angles[i];}
   PSFDihedral getDihedral(int i) {return self->dihedrals[i];}
   PSFImproper getImproper(int i) {return self->impropers[i];}
   PSFDonor getDonor(int i) {return self->donors[i];}
   PSFAcceptor getAcceptor(int i) {return self->acceptors[i];}
   PSFNonbonded getNonbonded(int i) {return self->nonbondeds[i];}
   PSFNgrp getNgrp(int i) {return self->ngrp[i];}

   int numAtoms() {return self->atoms.size();}
   int numBonds() {return self->bonds.size();}
   int numAngles() {return self->angles.size();}
   int numDihedrals() {return self->dihedrals.size();}
   int numImpropers() {return self->impropers.size();}
   int numDonors() {return self->donors.size();}
   int numAcceptors() {return self->acceptors.size();}
   int numNonbondeds() {return self->nonbondeds.size();}
   int numNgrps() {return self->ngrp.size();}
}