////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or .
//
////////////////////////////////////////////////////////////////////////////////
//
// AtomsDyn.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AtomsDyn.h,v 1.7 2009-04-30 22:22:23 fgygi Exp $
#ifndef ATOMSDYN_H
#define ATOMSDYN_H
#include
#include
#include
#include
#include "Sample.h"
class AtomsDyn : public Var
{
Sample *s;
public:
const char *name ( void ) const { return "atoms_dyn"; };
int set ( int argc, char **argv )
{
if ( argc != 2 )
{
if ( ui->onpe0() )
cout << " atoms_dyn takes only one value" << endl;
return 1;
}
string v = argv[1];
if ( !( v == "LOCKED" ||
v == "SD" ||
v == "SDA" ||
v == "CG" ||
v == "MD" ||
v == "BMD" ) )
{
if ( ui->onpe0() )
cout << " atoms_dyn must be LOCKED, SD, SDA, CG, MD or BMD" << endl;
return 1;
}
s->ctrl.atoms_dyn = v;
return 0;
}
string print (void) const
{
ostringstream st;
st.setf(ios::left,ios::adjustfield);
st << setw(10) << name() << " = ";
st.setf(ios::right,ios::adjustfield);
st << setw(10) << s->ctrl.atoms_dyn;
return st.str();
}
AtomsDyn(Sample *sample) : s(sample) { s->ctrl.atoms_dyn = "LOCKED"; };
};
#endif