/* * 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 . */ /* * RotateAroundSelfByAngleAction.cpp * * Created on: Aug 06, 2010 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "CodePatterns/Log.hpp" #include "CodePatterns/Verbose.hpp" #include "LinearAlgebra/Line.hpp" #include "LinearAlgebra/Vector.hpp" #include "Atom/atom.hpp" #include "molecule.hpp" #include #include #include #include "Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "RotateAroundSelfByAngleAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performCall() { // check whether a molecule is selected std::vector selectedMolecules = World::getInstance().getSelectedMolecules(); if (selectedMolecules.size() == 0) return Action::failure; // go through all selected molecules BOOST_FOREACH(molecule *mol, selectedMolecules) { // check whether Axis is valid if (params.Axis.get().IsZero()) return Action::failure; // convert from degrees to radian params.angle.set(params.angle.get() * M_PI/180.); // Creation Line that is the rotation axis Vector *CenterOfGravity = mol->DetermineCenterOfGravity(); LOG(0, "Center of gravity is " << *CenterOfGravity << "."); Line RotationAxis(*CenterOfGravity, params.Axis.get()); delete(CenterOfGravity); LOG(0, "Rotate " << mol->getName() << " around self by " << params.angle.get() << " radian around axis " << RotationAxis << "."); for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) { (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle.get())); } LOG(0, "done."); } return Action::state_ptr(new MoleculeRotateAroundSelfByAngleState(selectedMolecules, params)); } Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performUndo(Action::state_ptr _state) { MoleculeRotateAroundSelfByAngleState *state = assert_cast(_state.get()); BOOST_FOREACH(molecule *mol, state->selectedMolecules) { Vector *CenterOfGravity = mol->DetermineCenterOfGravity(); LOG(0, "Center of gravity is " << *CenterOfGravity << "."); Line RotationAxis(*CenterOfGravity, state->params.Axis.get()); delete(CenterOfGravity); LOG(0, "Rotate " << mol->getName() << " around self by " << -state->params.angle.get() << " radian around axis " << RotationAxis << "."); for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) { (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle.get())); } } return Action::state_ptr(_state); } Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performRedo(Action::state_ptr _state){ MoleculeRotateAroundSelfByAngleState *state = assert_cast(_state.get()); BOOST_FOREACH(molecule *mol, state->selectedMolecules) { Vector *CenterOfGravity = mol->DetermineCenterOfGravity(); LOG(0, "Center of gravity is " << *CenterOfGravity << "."); Line RotationAxis(*CenterOfGravity, state->params.Axis.get()); delete(CenterOfGravity); LOG(0, "Rotate " << mol->getName() << " around self by " << state->params.angle.get() << " radian around axis " << RotationAxis << "."); for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) { (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle.get())); } } return Action::state_ptr(_state); } bool MoleculeRotateAroundSelfByAngleAction::canUndo() { return true; } bool MoleculeRotateAroundSelfByAngleAction::shouldUndo() { return true; } /** =========== end of function ====================== */