/* * 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 . */ /* * CreateAdjacencyAction.cpp * * Created on: May 9, 2010 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "CodePatterns/Log.hpp" #include "Descriptors/AtomSelectionDescriptor.hpp" #include "Graph/BondGraph.hpp" #include "molecule.hpp" #include "World.hpp" #include #include #include #include "Actions/GraphAction/CreateAdjacencyAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "CreateAdjacencyAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ Action::state_ptr GraphCreateAdjacencyAction::performCall() { BondGraph *BG = World::getInstance().getBondGraph(); ASSERT(BG != NULL, "GraphCreateAdjacencyAction: BondGraph is NULL."); World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection()); BG->CreateAdjacency(Set); size_t BondCount = 0; std::vector molecules = World::getInstance().getAllMolecules(); for (std::vector::const_iterator iter = molecules.begin(); iter != molecules.end(); ++iter) BondCount += (*iter)->getBondCount(); LOG(0, "STATUS: Recognized " << BondCount << " bonds."); return Action::success; } Action::state_ptr GraphCreateAdjacencyAction::performUndo(Action::state_ptr _state) { // GraphCreateAdjacencyState *state = assert_cast(_state.get()); return Action::success; } Action::state_ptr GraphCreateAdjacencyAction::performRedo(Action::state_ptr _state){ return Action::success; } bool GraphCreateAdjacencyAction::canUndo() { return false; } bool GraphCreateAdjacencyAction::shouldUndo() { return false; } /** =========== end of function ====================== */