/* * 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 . */ /* * AddAction.cpp * * Created on: May 9, 2010 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif //#include "CodePatterns/MemDebug.hpp" #include "Actions/UndoRedoHelpers.hpp" #include "Descriptors/AtomIdDescriptor.hpp" #include "Atom/atom.hpp" #include "Element/element.hpp" #include "CodePatterns/Log.hpp" #include "molecule.hpp" #include "LinearAlgebra/Vector.hpp" #include "CodePatterns/Verbose.hpp" #include "World.hpp" #include #include #include "Actions/AtomAction/AddAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "AddAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ atom * getNewAtom(const AtomAddAction::AtomAddParameters &_params) { atom * first = World::getInstance().createAtom(); first->setType(_params.elemental.get()); first->setPosition(_params.position.get()); return first; } ActionState::ptr AtomAddAction::performCall() { // execute action std::vector molecules = World::getInstance().getSelectedMolecules(); std::vector Walkers; moleculeId_t molId = -1; if (!molecules.empty()) { if (molecules.size() == 1) { atom *first = getNewAtom(params); molecule *mol = *molecules.begin(); LOG(1, "Adding new atom with element " << first->getType()->getName() << " at " << (first->getPosition()) << " to selected molecule " << mol->getName()+"."); mol->AddAtom(first); molId = mol->getId(); Walkers.push_back(AtomicInfo(*first)); } else { ELOG(1, "Multiple molecules selected. Cannot add atom to multiple molecules."); } } else { atom * first = getNewAtom(params); molecule *mol = World::getInstance().createMolecule(); mol->setName("none"); mol->AddAtom(first); LOG(1, "Adding new atom with element " << first->getType()->getName() << " at " << (first->getPosition()) << " to new molecule."); molId = mol->getId(); Walkers.push_back(AtomicInfo(*first)); } WalkersInMolecule_t WalkersInMolecule = { { molId, Walkers } }; // create undo state AtomAddState *UndoState = new AtomAddState(WalkersInMolecule, params); if ((molecules.size() > 1) || (Walkers.empty())) return Action::failure; else return ActionState::ptr(UndoState); } ActionState::ptr AtomAddAction::performUndo(ActionState::ptr _state){ AtomAddState *state = assert_cast(_state.get()); // simple remove again all previously added atoms RemoveAtomsFromAtomicInfo(state->WalkersInMolecule.begin()->second); return ActionState::ptr(_state); } ActionState::ptr AtomAddAction::performRedo(ActionState::ptr _state) { AtomAddState *state = assert_cast(_state.get()); // add all removed atoms again if (AddMoleculesFromAtomicInfo(state->WalkersInMolecule)) return ActionState::ptr(_state); else { STATUS("Failed to re-add removed atoms."); return Action::failure; } } bool AtomAddAction::canUndo() { return true; } bool AtomAddAction::shouldUndo() { return true; } /** =========== end of function ====================== */