source: src/Actions/AnalysisAction/CalculateBoundingBoxAction.cpp@ 6aad6f

/*
 * Project: MoleCuilder
 * Description: creates and alters molecular systems
 * Copyright (C)  2010-2012 University of Bonn. All rights reserved.
 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
 */

/*
 * CalculateBoundingBoxAction.cpp
 *
 *  Created on: Nov 02, 2011
 *      Author: heber
 */

// include config.h
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif

#include "CodePatterns/MemDebug.hpp"

#include "CodePatterns/Log.hpp"

#include "Box.hpp"
#include "CodePatterns/Assert.hpp"
#include "LinearAlgebra/Plane.hpp"
#include <vector>
#include <utility>
#include "World.hpp"

#include <iostream>
#include <string>

#include "CalculateBoundingBoxAction.hpp"

using namespace MoleCuilder;

// and construct the stuff
#include "CalculateBoundingBoxAction.def"
#include "Reaction_impl_pre.hpp"

#include "Reaction_impl.hpp"

/** =========== define the function ====================== */
doubleVec * AnalysisCalculateBoundingBoxAction::doCalc() {
  typedef std::pair<Plane,Plane> PairOfPlanes;
  typedef std::vector<PairOfPlanes> PairOfPlanesVector;
  const PairOfPlanesVector planes = World::getInstance().getDomain().getBoundingPlanes();
  doubleVec returnvalues;
  for (PairOfPlanesVector::const_iterator iter = planes.begin();
    iter != planes.end(); ++iter) {
    returnvalues.push_back(fabs(iter->first.getOffset()));
    returnvalues.push_back(fabs(iter->second.getOffset()));
  }
  ASSERT( returnvalues.size() == (size_t)6,
      "AnalysisCalculateBoundingBoxAction::doCalc() - returnvalues should be of length 6 but is "
      +toString(returnvalues.size())+".");

  LOG(0, "RESULT: The current bounding box is " << returnvalues << ".");

  return (new doubleVec(returnvalues));
}
/** =========== end of function ====================== */