| 1 | /*
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| 2 |  * Project: MoleCuilder
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| 3 |  * Description: creates and alters molecular systems
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| 4 |  * Copyright (C)  2010-2012 University of Bonn. All rights reserved.
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| 5 |  * 
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| 6 |  *
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| 7 |  *   This file is part of MoleCuilder.
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| 8 |  *
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| 9 |  *    MoleCuilder is free software: you can redistribute it and/or modify
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| 10 |  *    it under the terms of the GNU General Public License as published by
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| 11 |  *    the Free Software Foundation, either version 2 of the License, or
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| 12 |  *    (at your option) any later version.
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| 13 |  *
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| 14 |  *    MoleCuilder is distributed in the hope that it will be useful,
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| 15 |  *    but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 16 |  *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
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| 17 |  *    GNU General Public License for more details.
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| 18 |  *
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| 19 |  *    You should have received a copy of the GNU General Public License
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| 20 |  *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>.
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| 21 |  */
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| 22 | 
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| 23 | /*
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| 24 |  * RotateAroundSelfByAngleAction.cpp
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| 25 |  *
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| 26 |  *  Created on: Aug 06, 2010
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| 27 |  *      Author: heber
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| 28 |  */
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| 29 | 
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| 30 | // include config.h
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| 31 | #ifdef HAVE_CONFIG_H
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| 32 | #include <config.h>
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| 33 | #endif
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| 34 | 
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| 35 | #include "CodePatterns/MemDebug.hpp"
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| 36 | 
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| 37 | #include "CodePatterns/Log.hpp"
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| 38 | #include "CodePatterns/Verbose.hpp"
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| 39 | #include "LinearAlgebra/Line.hpp"
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| 40 | #include "LinearAlgebra/Vector.hpp"
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| 41 | #include "Atom/atom.hpp"
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| 42 | #include "molecule.hpp"
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| 43 | 
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| 44 | #include <iostream>
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| 45 | #include <fstream>
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| 46 | #include <string>
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| 47 | 
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| 48 | #include "Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp"
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| 49 | 
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| 50 | using namespace MoleCuilder;
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| 51 | 
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| 52 | // and construct the stuff
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| 53 | #include "RotateAroundSelfByAngleAction.def"
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| 54 | #include "Action_impl_pre.hpp"
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| 55 | /** =========== define the function ====================== */
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| 56 | ActionState::ptr MoleculeRotateAroundSelfByAngleAction::performCall() {
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| 57 |   // check whether a molecule is selected
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| 58 |   std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules();
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| 59 |   if (selectedMolecules.size() == 0) {
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| 60 |     STATUS("There are need to be some molecules selected.");
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| 61 |     return Action::failure;
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| 62 |   }
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| 63 | 
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| 64 |   // go through all selected molecules
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| 65 |   BOOST_FOREACH(molecule *mol, selectedMolecules) {
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| 66 |     // check whether Axis is valid
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| 67 |     if (params.Axis.get().IsZero()) {
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| 68 |       STATUS("Rotation Axis must not be zero.");
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| 69 |       return Action::failure;
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| 70 |     }
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| 71 | 
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| 72 |     // convert from degrees to radian
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| 73 |     params.angle.set(params.angle.get() * M_PI/180.);
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| 74 | 
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| 75 |     // Creation Line that is the rotation axis
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| 76 |     Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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| 77 |     LOG(0,  "Center of gravity is " << *CenterOfGravity << ".");
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| 78 |     Line RotationAxis(*CenterOfGravity, params.Axis.get());
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| 79 |     delete(CenterOfGravity);
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| 80 |     LOG(0, "Rotate " << mol->getName() << " around self by " << params.angle.get() << " radian around axis " << RotationAxis << ".");
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| 81 | 
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| 82 |     for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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| 83 |       (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle.get()));
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| 84 |     }
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| 85 |     LOG(0, "done.");
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| 86 |   }
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| 87 | 
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| 88 |   return ActionState::ptr(new MoleculeRotateAroundSelfByAngleState(selectedMolecules, params));
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| 89 | }
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| 90 | 
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| 91 | ActionState::ptr MoleculeRotateAroundSelfByAngleAction::performUndo(ActionState::ptr _state) {
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| 92 |   MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
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| 93 | 
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| 94 |   BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
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| 95 |     Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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| 96 |     LOG(0,  "Center of gravity is " << *CenterOfGravity << ".");
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| 97 |     Line RotationAxis(*CenterOfGravity, state->params.Axis.get());
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| 98 |     delete(CenterOfGravity);
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| 99 |     LOG(0, "Rotate " << mol->getName() << " around self by " << -state->params.angle.get() << " radian around axis " << RotationAxis << ".");
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| 100 | 
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| 101 |     for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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| 102 |       (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle.get()));
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| 103 |     }
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| 104 |   }
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| 105 | 
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| 106 |   return ActionState::ptr(_state);
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| 107 | }
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| 108 | 
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| 109 | ActionState::ptr MoleculeRotateAroundSelfByAngleAction::performRedo(ActionState::ptr _state){
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| 110 |   MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
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| 111 | 
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| 112 |   BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
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| 113 |     Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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| 114 |     LOG(0,  "Center of gravity is " << *CenterOfGravity << ".");
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| 115 |     Line RotationAxis(*CenterOfGravity, state->params.Axis.get());
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| 116 |     delete(CenterOfGravity);
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| 117 |     LOG(0, "Rotate " << mol->getName() << " around self by " << state->params.angle.get() << " radian around axis " << RotationAxis << ".");
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| 118 | 
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| 119 |     for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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| 120 |       (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle.get()));
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| 121 |     }
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| 122 |   }
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| 123 | 
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| 124 |   return ActionState::ptr(_state);
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| 125 | }
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| 126 | 
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| 127 | bool MoleculeRotateAroundSelfByAngleAction::canUndo() {
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| 128 |   return true;
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| 129 | }
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| 130 | 
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| 131 | bool MoleculeRotateAroundSelfByAngleAction::shouldUndo() {
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| 132 |   return true;
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| 133 | }
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| 134 | /** =========== end of function ====================== */
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