| [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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| [eaf4ae] | 56 | Action::state_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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|  | 59 | if (selectedMolecules.size() == 0) | 
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| [90bc51] | 60 | return Action::failure; | 
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|  | 61 |  | 
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| [c00d35] | 62 | // go through all selected molecules | 
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|  | 63 | BOOST_FOREACH(molecule *mol, selectedMolecules) { | 
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|  | 64 | // check whether Axis is valid | 
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| [f10b0c] | 65 | if (params.Axis.get().IsZero()) | 
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| [c00d35] | 66 | return Action::failure; | 
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|  | 67 |  | 
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|  | 68 | // convert from degrees to radian | 
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| [f10b0c] | 69 | params.angle.set(params.angle.get() * M_PI/180.); | 
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| [c00d35] | 70 |  | 
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|  | 71 | // Creation Line that is the rotation axis | 
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|  | 72 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity(); | 
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| [47d041] | 73 | LOG(0,  "Center of gravity is " << *CenterOfGravity << "."); | 
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| [f10b0c] | 74 | Line RotationAxis(*CenterOfGravity, params.Axis.get()); | 
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| [c00d35] | 75 | delete(CenterOfGravity); | 
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| [f10b0c] | 76 | LOG(0, "Rotate " << mol->getName() << " around self by " << params.angle.get() << " radian around axis " << RotationAxis << "."); | 
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| [c00d35] | 77 |  | 
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|  | 78 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) { | 
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| [f10b0c] | 79 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle.get())); | 
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| [c00d35] | 80 | } | 
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| [47d041] | 81 | LOG(0, "done."); | 
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| [eaf4ae] | 82 | } | 
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|  | 83 |  | 
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| [c00d35] | 84 | return Action::state_ptr(new MoleculeRotateAroundSelfByAngleState(selectedMolecules, params)); | 
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| [eaf4ae] | 85 | } | 
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|  | 86 |  | 
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|  | 87 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performUndo(Action::state_ptr _state) { | 
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| [2204b0] | 88 | MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get()); | 
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|  | 89 |  | 
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| [c00d35] | 90 | BOOST_FOREACH(molecule *mol, state->selectedMolecules) { | 
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|  | 91 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity(); | 
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| [47d041] | 92 | LOG(0,  "Center of gravity is " << *CenterOfGravity << "."); | 
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| [f10b0c] | 93 | Line RotationAxis(*CenterOfGravity, state->params.Axis.get()); | 
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| [c00d35] | 94 | delete(CenterOfGravity); | 
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| [f10b0c] | 95 | LOG(0, "Rotate " << mol->getName() << " around self by " << -state->params.angle.get() << " radian around axis " << RotationAxis << "."); | 
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| [eaf4ae] | 96 |  | 
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| [c00d35] | 97 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) { | 
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| [f10b0c] | 98 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle.get())); | 
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| [c00d35] | 99 | } | 
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| [2204b0] | 100 | } | 
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| [eaf4ae] | 101 |  | 
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| [2204b0] | 102 | return Action::state_ptr(_state); | 
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| [eaf4ae] | 103 | } | 
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|  | 104 |  | 
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|  | 105 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performRedo(Action::state_ptr _state){ | 
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| [2204b0] | 106 | MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get()); | 
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|  | 107 |  | 
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| [c00d35] | 108 | BOOST_FOREACH(molecule *mol, state->selectedMolecules) { | 
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|  | 109 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity(); | 
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| [47d041] | 110 | LOG(0,  "Center of gravity is " << *CenterOfGravity << "."); | 
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| [f10b0c] | 111 | Line RotationAxis(*CenterOfGravity, state->params.Axis.get()); | 
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| [c00d35] | 112 | delete(CenterOfGravity); | 
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| [f10b0c] | 113 | LOG(0, "Rotate " << mol->getName() << " around self by " << state->params.angle.get() << " radian around axis " << RotationAxis << "."); | 
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| [2204b0] | 114 |  | 
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| [c00d35] | 115 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) { | 
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| [f10b0c] | 116 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle.get())); | 
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| [c00d35] | 117 | } | 
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| [2204b0] | 118 | } | 
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|  | 119 |  | 
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|  | 120 | return Action::state_ptr(_state); | 
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| [eaf4ae] | 121 | } | 
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|  | 122 |  | 
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|  | 123 | bool MoleculeRotateAroundSelfByAngleAction::canUndo() { | 
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| [2204b0] | 124 | return true; | 
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| [eaf4ae] | 125 | } | 
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|  | 126 |  | 
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|  | 127 | bool MoleculeRotateAroundSelfByAngleAction::shouldUndo() { | 
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| [2204b0] | 128 | return true; | 
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| [eaf4ae] | 129 | } | 
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| [1fd675] | 130 | /** =========== end of function ====================== */ | 
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