/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2010-2012 University of Bonn. All rights reserved.
*
*
* This file is part of MoleCuilder.
*
* MoleCuilder 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 2 of the License, or
* (at your option) any later version.
*
* MoleCuilder 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 MoleCuilder. If not, see .
*/
/*
* RotateToPrincipalAxisSystemAction.cpp
*
* Created on: May 10, 2010
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#include "CodePatterns/MemDebug.hpp"
#include "CodePatterns/Log.hpp"
#include "CodePatterns/Verbose.hpp"
#include "LinearAlgebra/Line.hpp"
#include "LinearAlgebra/RealSpaceMatrix.hpp"
#include "LinearAlgebra/Vector.hpp"
#include "Element/element.hpp"
#include "molecule.hpp"
#include
#include
#include
#include "Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp"
using namespace MoleCuilder;
// and construct the stuff
#include "RotateToPrincipalAxisSystemAction.def"
#include "Action_impl_pre.hpp"
/** =========== define the function ====================== */
Action::state_ptr MoleculeRotateToPrincipalAxisSystemAction::performCall() {
molecule *mol = NULL;
for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
mol = iter->second;
LOG(0, "Converting to prinicipal axis system.");
RealSpaceMatrix InertiaTensor = mol->getInertiaTensor();
mol->RotateToPrincipalAxisSystem(params.Axis.get());
// summing anew for debugging (resulting matrix has to be diagonal!)
InertiaTensor = mol->getInertiaTensor();
}
return Action::success;
}
Action::state_ptr MoleculeRotateToPrincipalAxisSystemAction::performUndo(Action::state_ptr _state) {
// MoleculeRotateToPrincipalAxisSystemState *state = assert_cast(_state.get());
// string newName = state->mol->getName();
// state->mol->setName(state->lastName);
return Action::failure;
}
Action::state_ptr MoleculeRotateToPrincipalAxisSystemAction::performRedo(Action::state_ptr _state){
return Action::failure;
}
bool MoleculeRotateToPrincipalAxisSystemAction::canUndo() {
return true;
}
bool MoleculeRotateToPrincipalAxisSystemAction::shouldUndo() {
return true;
}
/** =========== end of function ====================== */