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  • src/Actions/WorldAction/CenterInBoxAction.cpp

    rce7fdc r23526c  
    1818#endif
    1919
     20// include headers that implement a archive in simple text format
     21#include <boost/archive/text_oarchive.hpp>
     22#include <boost/archive/text_iarchive.hpp>
     23#include "boost/serialization/vector.hpp"
     24
    2025#include "CodePatterns/MemDebug.hpp"
     26
     27#include <boost/shared_ptr.hpp>
    2128
    2229#include "Box.hpp"
    2330#include "CodePatterns/Log.hpp"
     31#include "LinearAlgebra/MatrixContent.hpp"
    2432#include "LinearAlgebra/RealSpaceMatrix.hpp"
    2533#include "molecule.hpp"
     
    2836#include <iostream>
    2937#include <string>
     38#include <vector>
    3039
    3140#include "Actions/WorldAction/CenterInBoxAction.hpp"
     
    4150  getParametersfromValueStorage();
    4251
     52  // create undo state
     53  std::stringstream undostream;
     54  boost::archive::text_oarchive oa(undostream);
     55  RealSpaceMatrix matrix(World::getInstance().getDomain().getM());
     56  oa << matrix;
     57  std::vector< boost::shared_ptr<Vector> > OldPositions;
     58  std::vector<molecule*> AllMolecules = World::getInstance().getAllMolecules();
     59  for (std::vector<molecule*>::iterator MolRunner = AllMolecules.begin();
     60      MolRunner != AllMolecules.end();
     61      ++MolRunner) {
     62    for(molecule::const_iterator AtomRunner = (*MolRunner)->begin();
     63        AtomRunner != (*MolRunner)->end();
     64        ++AtomRunner) {
     65      OldPositions.push_back(
     66          boost::shared_ptr<Vector>(new Vector(
     67              (*AtomRunner)->getPosition()
     68              ))
     69          );
     70    }
     71  }
     72
     73  // set new domain
    4374  World::getInstance().setDomain(params.cell_size.getM());
    4475
    45   // center
    46   vector<molecule *> AllMolecules = World::getInstance().getAllMolecules();
    47   for (vector<molecule*>::iterator MolRunner = AllMolecules.begin(); MolRunner != AllMolecules.end(); ++MolRunner) {
     76  // center atoms
     77  for (std::vector<molecule*>::iterator MolRunner = AllMolecules.begin(); MolRunner != AllMolecules.end(); ++MolRunner) {
    4878    (*MolRunner)->CenterInBox();
    4979  }
     
    5282  LOG(0, "Box domain is now " << World::getInstance().getDomain().getM());
    5383
    54   return Action::success;
     84  // create undo state
     85  WorldCenterInBoxState *UndoState =
     86      new WorldCenterInBoxState(
     87          undostream.str(),
     88          OldPositions,
     89          params
     90          );
     91
     92  return Action::state_ptr(UndoState);
    5593}
    5694
    5795Action::state_ptr WorldCenterInBoxAction::performUndo(Action::state_ptr _state) {
    58 //  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
     96  WorldCenterInBoxState *state = assert_cast<WorldCenterInBoxState*>(_state.get());
    5997
    60   return Action::failure;
    61 //  string newName = state->mol->getName();
    62 //  state->mol->setName(state->lastName);
    63 //
    64 //  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
     98  // restore domain
     99  RealSpaceMatrix matrix;
     100  std::stringstream undostream(state->undostring);
     101  boost::archive::text_iarchive ia(undostream);
     102  ia >> matrix;
     103  World::getInstance().setDomain(matrix);
     104
     105  // place atoms on old positions
     106  std::vector< boost::shared_ptr<Vector> >::const_iterator OldPositionsIter = state->OldPositions.begin();
     107  std::vector<molecule*> AllMolecules = World::getInstance().getAllMolecules();
     108  for (std::vector<molecule*>::iterator MolRunner = AllMolecules.begin();
     109      MolRunner != AllMolecules.end();
     110      ++MolRunner) {
     111    for(molecule::const_iterator AtomRunner = (*MolRunner)->begin();
     112        AtomRunner != (*MolRunner)->end();
     113        ++AtomRunner) {
     114      ASSERT(OldPositionsIter != state->OldPositions.end(),
     115          "WorldBoundInBoxAction::performUndo() - too few positions stored in UndoState.");
     116      (*AtomRunner)->setPosition(**(OldPositionsIter++));
     117    }
     118  }
     119
     120  // give final box size
     121  LOG(0, "Box domain restored to " << World::getInstance().getDomain().getM());
     122
     123  return Action::state_ptr(_state);
    65124}
    66125
    67126Action::state_ptr WorldCenterInBoxAction::performRedo(Action::state_ptr _state){
    68   return Action::failure;
     127  WorldCenterInBoxState *state = assert_cast<WorldCenterInBoxState*>(_state.get());
     128
     129  // set new domain
     130  World::getInstance().setDomain(state->params.cell_size.getM());
     131
     132  // center atoms
     133  std::vector<molecule *> AllMolecules = World::getInstance().getAllMolecules();
     134  for (std::vector<molecule*>::iterator MolRunner = AllMolecules.begin(); MolRunner != AllMolecules.end(); ++MolRunner) {
     135    (*MolRunner)->CenterInBox();
     136  }
     137
     138  // give final box size
     139  LOG(0, "Box domain is again " << World::getInstance().getDomain().getM());
     140
     141  return Action::state_ptr(_state);
    69142}
    70143
    71144bool WorldCenterInBoxAction::canUndo() {
    72   return false;
     145  return true;
    73146}
    74147
    75148bool WorldCenterInBoxAction::shouldUndo() {
    76   return false;
     149  return true;
    77150}
    78151/** =========== end of function ====================== */
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