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