/* * 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. */ /* * SuspendInWaterAction.cpp * * Created on: May 12, 2010 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "CodePatterns/Log.hpp" #include "Tesselation/boundary.hpp" #include "World.hpp" #include #include #include "Actions/MoleculeAction/SuspendInWaterAction.hpp" class config; using namespace MoleCuilder; // and construct the stuff #include "SuspendInWaterAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ Action::state_ptr MoleculeSuspendInWaterAction::performCall() { molecule *mol = NULL; double volume = 0.; for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) { mol = iter->second; LOG(0, "Evaluating necessary cell volume for a cluster suspended in water."); if (params.density < 1.0) { ELOG(1, "Density must be greater than 1.0g/cm^3!"); } else { PrepareClustersinWater(World::getInstance().getConfig(), mol, volume, params.density); // if volume == 0, will calculate from ConvexEnvelope } } return Action::success; } Action::state_ptr MoleculeSuspendInWaterAction::performUndo(Action::state_ptr _state) { // MoleculeSuspendInWaterState *state = assert_cast(_state.get()); // string newName = state->mol->getName(); // state->mol->setName(state->lastName); return Action::failure; } Action::state_ptr MoleculeSuspendInWaterAction::performRedo(Action::state_ptr _state){ // Undo and redo have to do the same for this action return performUndo(_state); } bool MoleculeSuspendInWaterAction::canUndo() { return false; } bool MoleculeSuspendInWaterAction::shouldUndo() { return false; } /** =========== end of function ====================== */