/* * 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 . */ /* * NonConvexEnvelopeAction.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 "LinkedCell/linkedcell.hpp" #include "LinkedCell/PointCloudAdaptor.hpp" #include "molecule.hpp" #include "Tesselation/boundary.hpp" #include "Tesselation/tesselation.hpp" #include "World.hpp" #include #include #include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "NonConvexEnvelopeAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ ActionState::ptr TesselationNonConvexEnvelopeAction::performCall() { molecule * Boundary = NULL; bool Success = false; clock_t start,end; for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) { Boundary = iter->second; class Tesselation *T = NULL; const LinkedCell_deprecated *LCList = NULL; LOG(0, "Evaluating non-convex envelope of molecule." << Boundary->getId()); LOG(1, "Using rolling ball of radius " << params.SphereRadius.get() << " and storing tecplot data in " << params.filename.get() << "."); LOG(1, "Specified molecule has " << Boundary->getAtomCount() << " atoms."); start = clock(); PointCloudAdaptor< molecule > cloud(Boundary, Boundary->name); LCList = new LinkedCell_deprecated(cloud, params.SphereRadius.get()*2.); Success = FindNonConvexBorder(Boundary, T, LCList, params.SphereRadius.get(), params.filename.get().string().c_str()); //FindDistributionOfEllipsoids(T, &LCList, N, number, params.filename.get().c_str()); end = clock(); LOG(0, "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s."); delete(LCList); delete(T); } if (Success) return Action::success; else return Action::failure; } ActionState::ptr TesselationNonConvexEnvelopeAction::performUndo(ActionState::ptr _state) { // TesselationNonConvexEnvelopeState *state = assert_cast(_state.get()); // string newName = state->mol->getName(); // state->mol->setName(state->lastName); STATUS("Undo of TesselationNonConvexEnvelopeAction not implemented."); return Action::failure; } ActionState::ptr TesselationNonConvexEnvelopeAction::performRedo(ActionState::ptr _state){ // Undo and redo have to do the same for this action return performUndo(_state); } bool TesselationNonConvexEnvelopeAction::canUndo() { return false; } bool TesselationNonConvexEnvelopeAction::shouldUndo() { return false; } /** =========== end of function ====================== */