/* * 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 . */ /* * SaveAdjacencyAction.cpp * * Created on: May 10, 2010 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include #include #include #include "CodePatterns/Log.hpp" #include "Graph/AdjacencyList.hpp" #include "molecule.hpp" #include "World.hpp" #include "Actions/MoleculeAction/SaveAdjacencyAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "SaveAdjacencyAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ Action::state_ptr MoleculeSaveAdjacencyAction::performCall() { molecule *mol = NULL; // gather all desired ids typedef std::vector atomids_t; atomids_t atomids; for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) { mol = iter->second; const molecule::atomIdSet &mol_atomids = mol->getAtomIds(); atomids.insert(atomids.end(), mol_atomids.begin(), mol_atomids.end()); } // store to file AdjacencyList adjacency(atomids); std::ofstream AdjacencyFile; const std::string filename = params.adjacencyfile.get().string(); LOG(0, "STATUS: Storing adjacency of selected molecules to " << filename << "."); AdjacencyFile.open(filename.c_str(), ios::out); adjacency.StoreToFile(AdjacencyFile); AdjacencyFile.close(); return Action::success; } Action::state_ptr MoleculeSaveAdjacencyAction::performUndo(Action::state_ptr _state) { // MoleculeSaveAdjacencyState *state = assert_cast(_state.get()); // string newName = state->mol->getName(); // state->mol->setName(state->lastName); return Action::failure; } Action::state_ptr MoleculeSaveAdjacencyAction::performRedo(Action::state_ptr _state){ // Undo and redo have to do the same for this action return performUndo(_state); } bool MoleculeSaveAdjacencyAction::canUndo() { return false; } bool MoleculeSaveAdjacencyAction::shouldUndo() { return false; } /** =========== end of function ====================== */