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/****************************************************************************
* Copyright (C) 2008 Adrien Saladin *
* adrien.saladin@gmail.com *
* *
* This program is free software: you can redistribute it and/or modify *
* it under the terms of the GNU General Public License as published by *
* the Free Software Foundation, either version 3 of the License, or *
* (at your option) any later version. *
* *
* This program is distributed in the hope that it will be useful, *
* but WITHOUT ANY WARRANTY; without even the implied warranty of *
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
* GNU General Public License for more details. *
* *
* You should have received a copy of the GNU General Public License *
* along with this program. If not, see <http://www.gnu.org/licenses/>. *
* *
***************************************************************************/
#include <iostream>
#include <sstream>
#include "attractrigidbody.h"
namespace PTools{
///////////// AttractRigidbody implementation:
AttractRigidbody::AttractRigidbody(const Rigidbody & rig)
: Rigidbody(rig)
{
this->init_();
}
AttractRigidbody::AttractRigidbody(const std::string& filename)
: Rigidbody(filename)
{
this->init_();
}
void AttractRigidbody::init_()
{
// extracts the "extra" field of Atoms to the m_atomTypeNumber array:
uint atcategory = 0;
dbl atcharge = 0.0;
for (uint i = 0; i < Size() ; ++i)
{
Atomproperty & at (mAtomProp[i]);
std::string extra = at.GetExtra();
std::istringstream iss( extra );
iss >> atcategory >> atcharge ;
m_atomTypeNumber.push_back(atcategory-1); // -1 to directly use the atomTypeNumber into C-array
m_charge.push_back(atcharge);
}
setRotation(true);
setTranslation(true);
resetForces();
}
void AttractRigidbody::setDummyTypes(const std::vector<uint>& dummy)
{
m_dummytypes = dummy;
this->updateActiveList();
}
void AttractRigidbody::updateActiveList()
{
std::vector<uint> newactivelist;
for(uint i=0; i<this->Size(); i++)
{
if( isAtomActive(i) ) newactivelist.push_back(i);
}
std::swap(m_activeAtoms, newactivelist);
}
} //namespace PTools
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