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 University of Bonn. All rights reserved.
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5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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6 | */
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7 |
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8 | /*
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9 | * RotateAroundSelfByAngleAction.cpp
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10 | *
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11 | * Created on: Aug 06, 2010
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12 | * Author: heber
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13 | */
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14 |
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15 | // include config.h
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16 | #ifdef HAVE_CONFIG_H
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17 | #include <config.h>
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18 | #endif
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19 |
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20 | #include "CodePatterns/MemDebug.hpp"
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21 |
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22 | #include "CodePatterns/Log.hpp"
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23 | #include "CodePatterns/Verbose.hpp"
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24 | #include "LinearAlgebra/Line.hpp"
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25 | #include "LinearAlgebra/Vector.hpp"
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26 | #include "atom.hpp"
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27 | #include "molecule.hpp"
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28 |
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29 | #include <iostream>
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30 | #include <fstream>
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31 | #include <string>
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32 |
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33 | #include "Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp"
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34 |
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35 | using namespace MoleCuilder;
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36 |
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37 | // and construct the stuff
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38 | #include "RotateAroundSelfByAngleAction.def"
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39 | #include "Action_impl_pre.hpp"
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40 | /** =========== define the function ====================== */
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41 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performCall() {
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42 | // obtain information
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43 | getParametersfromValueStorage();
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44 |
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45 | // check whether a molecule is selected
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46 | std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules();
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47 | if (selectedMolecules.size() == 0)
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48 | return Action::failure;
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49 |
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50 | // go through all selected molecules
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51 | BOOST_FOREACH(molecule *mol, selectedMolecules) {
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52 | // check whether Axis is valid
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53 | if (params.Axis.IsZero())
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54 | return Action::failure;
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55 |
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56 | // convert from degrees to radian
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57 | params.angle *= M_PI/180.;
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58 |
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59 | // Creation Line that is the rotation axis
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60 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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61 | LOG(0, "Center of gravity is " << *CenterOfGravity << ".");
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62 | Line RotationAxis(*CenterOfGravity, params.Axis);
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63 | delete(CenterOfGravity);
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64 | LOG(0, "Rotate " << mol->getName() << " around self by " << params.angle << " radian around axis " << RotationAxis << ".");
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65 |
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66 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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67 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle));
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68 | }
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69 | LOG(0, "done.");
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70 | }
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71 |
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72 | return Action::state_ptr(new MoleculeRotateAroundSelfByAngleState(selectedMolecules, params));
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73 | }
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74 |
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75 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performUndo(Action::state_ptr _state) {
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76 | MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
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77 |
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78 | BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
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79 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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80 | LOG(0, "Center of gravity is " << *CenterOfGravity << ".");
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81 | Line RotationAxis(*CenterOfGravity, state->params.Axis);
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82 | delete(CenterOfGravity);
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83 | LOG(0, "Rotate " << mol->getName() << " around self by " << -state->params.angle << " radian around axis " << RotationAxis << ".");
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84 |
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85 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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86 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle));
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87 | }
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88 | }
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89 |
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90 | return Action::state_ptr(_state);
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91 | }
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92 |
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93 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performRedo(Action::state_ptr _state){
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94 | MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
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95 |
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96 | BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
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97 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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98 | LOG(0, "Center of gravity is " << *CenterOfGravity << ".");
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99 | Line RotationAxis(*CenterOfGravity, state->params.Axis);
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100 | delete(CenterOfGravity);
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101 | LOG(0, "Rotate " << mol->getName() << " around self by " << state->params.angle << " radian around axis " << RotationAxis << ".");
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102 |
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103 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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104 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle));
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105 | }
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106 | }
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107 |
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108 | return Action::state_ptr(_state);
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109 | }
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110 |
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111 | bool MoleculeRotateAroundSelfByAngleAction::canUndo() {
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112 | return true;
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113 | }
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114 |
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115 | bool MoleculeRotateAroundSelfByAngleAction::shouldUndo() {
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116 | return true;
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117 | }
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118 | /** =========== end of function ====================== */
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