/* * 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. */ /* * ScaleBoxAction.cpp * * Created on: May 8, 2010 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "Atom/atom.hpp" #include "CodePatterns/Log.hpp" #include "LinearAlgebra/RealSpaceMatrix.hpp" #include "LinearAlgebra/Vector.hpp" #include "World.hpp" #include "Box.hpp" #include #include #include #include "Actions/WorldAction/ScaleBoxAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "ScaleBoxAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ Action::state_ptr WorldScaleBoxAction::performCall() { double x[NDIM]; // scale atoms for (int i=0;i AllAtoms = World::getInstance().getAllAtoms(); for(std::vector::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner) { (*AtomRunner)->ScaleAll(x); } // scale box RealSpaceMatrix M = World::getInstance().getDomain().getM(); RealSpaceMatrix scale; for (int i=0;i(_state.get()); // scale back atoms double x[NDIM]; for (int i=0;iparams.Scaler[i]; vector AllAtoms = World::getInstance().getAllAtoms(); for(vector::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner) { (*AtomRunner)->ScaleAll(x); } // scale back box RealSpaceMatrix M = World::getInstance().getDomain().getM(); RealSpaceMatrix scale; for (int i=0;iparams.Scaler[i]; } M *= scale; World::getInstance().setDomain(M); // give final box size LOG(0, "Box domain restored to " << World::getInstance().getDomain().getM()); return Action::state_ptr(_state); } Action::state_ptr WorldScaleBoxAction::performRedo(Action::state_ptr _state){ WorldScaleBoxState *state = assert_cast(_state.get()); // scale atoms double x[NDIM]; for (int i=0;iparams.Scaler[i]; vector AllAtoms = World::getInstance().getAllAtoms(); for(vector::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner) { (*AtomRunner)->ScaleAll(x); } // scale box RealSpaceMatrix M = World::getInstance().getDomain().getM(); RealSpaceMatrix scale; for (int i=0;iparams.Scaler[i]; } M *= scale; World::getInstance().setDomain(M); // give final box size LOG(0, "Box domain is again " << World::getInstance().getDomain().getM()); return Action::state_ptr(_state); } bool WorldScaleBoxAction::canUndo() { return true; } bool WorldScaleBoxAction::shouldUndo() { return true; } /** =========== end of function ====================== */