/* * 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. */ /* * ChangeElementAction.cpp * * Created on: May 9, 2010 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "Descriptors/AtomIdDescriptor.hpp" #include "Atom/atom.hpp" #include "Element/element.hpp" #include "CodePatterns/Log.hpp" #include "LinearAlgebra/Vector.hpp" #include "CodePatterns/Verbose.hpp" #include "molecule.hpp" #include "World.hpp" #include #include #include #include "Actions/AtomAction/ChangeElementAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "ChangeElementAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ Action::state_ptr AtomChangeElementAction::performCall() { atom *first = NULL; molecule *mol = NULL; // obtain information getParametersfromValueStorage(); // create undo state ElementMap Elements; for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) { Elements.insert(std::pair (iter->second->getId(), iter->second->getType())); } AtomChangeElementState *UndoState = new AtomChangeElementState(Elements, params); for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) { first = iter->second; LOG(1, "Changing atom " << *first << " to element " << *params.elemental << "."); mol = first->getMolecule(); first->removeFromMolecule(); // remove atom first->setType(params.elemental); mol->AddAtom(first); // add atom to ensure correctness of formula } return Action::state_ptr(UndoState); } Action::state_ptr AtomChangeElementAction::performUndo(Action::state_ptr _state) { AtomChangeElementState *state = assert_cast(_state.get()); atom *first = NULL; molecule *mol = NULL; for(ElementMap::const_iterator iter = state->Elements.begin(); iter != state->Elements.end(); ++iter) { first = World::getInstance().getAtom(AtomById(iter->first)); mol = first->getMolecule(); first->removeFromMolecule(); // remove atom first->setType(iter->second); mol->AddAtom(first); // add atom to ensure correctness of formula } return Action::state_ptr(_state); } Action::state_ptr AtomChangeElementAction::performRedo(Action::state_ptr _state){ AtomChangeElementState *state = assert_cast(_state.get()); atom *first = NULL; molecule *mol = NULL; for(ElementMap::const_iterator iter = state->Elements.begin(); iter != state->Elements.end(); ++iter) { first = World::getInstance().getAtom(AtomById(iter->first)); mol = first->getMolecule(); first->removeFromMolecule(); // remove atom first->setType(state->params.elemental); mol->AddAtom(first); // add atom to ensure correctness of formula } return Action::state_ptr(_state); } bool AtomChangeElementAction::canUndo() { return true; } bool AtomChangeElementAction::shouldUndo() { return true; } /** =========== end of function ====================== */