| [bcf653] | 1 | /*
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 | 2 |  * Project: MoleCuilder
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 | 3 |  * Description: creates and alters molecular systems
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| [0aa122] | 4 |  * Copyright (C)  2010-2012 University of Bonn. All rights reserved.
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| [94d5ac6] | 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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| [bcf653] | 21 |  */
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 | 22 | 
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| [eaf4ae] | 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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| [bf3817] | 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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| [ad011c] | 35 | #include "CodePatterns/MemDebug.hpp"
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| [eaf4ae] | 36 | 
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| [ad011c] | 37 | #include "CodePatterns/Log.hpp"
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 | 38 | #include "CodePatterns/Verbose.hpp"
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| [eaf4ae] | 39 | #include "LinearAlgebra/Line.hpp"
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 | 40 | #include "LinearAlgebra/Vector.hpp"
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| [6f0841] | 41 | #include "Atom/atom.hpp"
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| [eaf4ae] | 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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| [1fd675] | 48 | #include "Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp"
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| [eaf4ae] | 49 | 
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| [ce7fdc] | 50 | using namespace MoleCuilder;
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 | 51 | 
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| [1fd675] | 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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| [b5b01e] | 56 | ActionState::ptr MoleculeRotateAroundSelfByAngleAction::performCall() {
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| [c00d35] | 57 |   // check whether a molecule is selected
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 | 58 |   std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules();
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| [26b4d62] | 59 |   if (selectedMolecules.size() == 0) {
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 | 60 |     STATUS("There are need to be some molecules selected.");
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| [90bc51] | 61 |     return Action::failure;
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| [26b4d62] | 62 |   }
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| [90bc51] | 63 | 
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| [c00d35] | 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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| [26b4d62] | 67 |     if (params.Axis.get().IsZero()) {
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 | 68 |       STATUS("Rotation Axis must not be zero.");
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| [c00d35] | 69 |       return Action::failure;
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| [26b4d62] | 70 |     }
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| [c00d35] | 71 | 
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 | 72 |     // convert from degrees to radian
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| [f10b0c] | 73 |     params.angle.set(params.angle.get() * M_PI/180.);
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| [c00d35] | 74 | 
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 | 75 |     // Creation Line that is the rotation axis
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| [833b15] | 76 |     const 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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| [f10b0c] | 79 |     LOG(0, "Rotate " << mol->getName() << " around self by " << params.angle.get() << " radian around axis " << RotationAxis << ".");
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| [c00d35] | 80 | 
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 | 81 |     for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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| [f10b0c] | 82 |       (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle.get()));
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| [c00d35] | 83 |     }
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| [47d041] | 84 |     LOG(0, "done.");
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| [eaf4ae] | 85 |   }
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 | 86 | 
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| [b5b01e] | 87 |   return ActionState::ptr(new MoleculeRotateAroundSelfByAngleState(selectedMolecules, params));
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| [eaf4ae] | 88 | }
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 | 89 | 
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| [b5b01e] | 90 | ActionState::ptr MoleculeRotateAroundSelfByAngleAction::performUndo(ActionState::ptr _state) {
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| [2204b0] | 91 |   MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
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 | 92 | 
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| [c00d35] | 93 |   BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
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| [833b15] | 94 |     const Vector CenterOfGravity = mol->DetermineCenterOfGravity();
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 | 95 |     LOG(0,  "Center of gravity is " <<CenterOfGravity << ".");
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 | 96 |     Line RotationAxis(CenterOfGravity, state->params.Axis.get());
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| [f10b0c] | 97 |     LOG(0, "Rotate " << mol->getName() << " around self by " << -state->params.angle.get() << " radian around axis " << RotationAxis << ".");
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| [eaf4ae] | 98 | 
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| [c00d35] | 99 |     for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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| [f10b0c] | 100 |       (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle.get()));
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| [c00d35] | 101 |     }
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| [2204b0] | 102 |   }
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| [eaf4ae] | 103 | 
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| [b5b01e] | 104 |   return ActionState::ptr(_state);
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| [eaf4ae] | 105 | }
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 | 106 | 
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| [b5b01e] | 107 | ActionState::ptr MoleculeRotateAroundSelfByAngleAction::performRedo(ActionState::ptr _state){
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| [2204b0] | 108 |   MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
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 | 109 | 
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| [c00d35] | 110 |   BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
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| [833b15] | 111 |     const Vector CenterOfGravity = mol->DetermineCenterOfGravity();
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 | 112 |     LOG(0,  "Center of gravity is " << CenterOfGravity << ".");
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 | 113 |     Line RotationAxis(CenterOfGravity, state->params.Axis.get());
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| [f10b0c] | 114 |     LOG(0, "Rotate " << mol->getName() << " around self by " << state->params.angle.get() << " radian around axis " << RotationAxis << ".");
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| [2204b0] | 115 | 
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| [c00d35] | 116 |     for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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| [f10b0c] | 117 |       (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle.get()));
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| [c00d35] | 118 |     }
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| [2204b0] | 119 |   }
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 | 120 | 
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| [b5b01e] | 121 |   return ActionState::ptr(_state);
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| [eaf4ae] | 122 | }
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 | 123 | 
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 | 124 | bool MoleculeRotateAroundSelfByAngleAction::canUndo() {
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| [2204b0] | 125 |   return true;
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| [eaf4ae] | 126 | }
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 | 127 | 
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 | 128 | bool MoleculeRotateAroundSelfByAngleAction::shouldUndo() {
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| [2204b0] | 129 |   return true;
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| [eaf4ae] | 130 | }
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| [1fd675] | 131 | /** =========== end of function ====================== */
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