| [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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| [bcf653] | 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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| [eaf4ae] | 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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| [bf3817] | 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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| [ad011c] | 20 | #include "CodePatterns/MemDebug.hpp" | 
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| [eaf4ae] | 21 |  | 
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| [ad011c] | 22 | #include "CodePatterns/Log.hpp" | 
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|  | 23 | #include "CodePatterns/Verbose.hpp" | 
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| [eaf4ae] | 24 | #include "LinearAlgebra/Line.hpp" | 
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|  | 25 | #include "LinearAlgebra/Vector.hpp" | 
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| [6f0841] | 26 | #include "Atom/atom.hpp" | 
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| [eaf4ae] | 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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| [1fd675] | 33 | #include "Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp" | 
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| [eaf4ae] | 34 |  | 
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| [ce7fdc] | 35 | using namespace MoleCuilder; | 
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|  | 36 |  | 
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| [1fd675] | 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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| [eaf4ae] | 41 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performCall() { | 
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| [c00d35] | 42 | // check whether a molecule is selected | 
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|  | 43 | std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules(); | 
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|  | 44 | if (selectedMolecules.size() == 0) | 
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| [90bc51] | 45 | return Action::failure; | 
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|  | 46 |  | 
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| [c00d35] | 47 | // go through all selected molecules | 
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|  | 48 | BOOST_FOREACH(molecule *mol, selectedMolecules) { | 
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|  | 49 | // check whether Axis is valid | 
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| [f10b0c] | 50 | if (params.Axis.get().IsZero()) | 
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| [c00d35] | 51 | return Action::failure; | 
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|  | 52 |  | 
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|  | 53 | // convert from degrees to radian | 
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| [f10b0c] | 54 | params.angle.set(params.angle.get() * M_PI/180.); | 
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| [c00d35] | 55 |  | 
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|  | 56 | // Creation Line that is the rotation axis | 
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|  | 57 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity(); | 
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| [47d041] | 58 | LOG(0,  "Center of gravity is " << *CenterOfGravity << "."); | 
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| [f10b0c] | 59 | Line RotationAxis(*CenterOfGravity, params.Axis.get()); | 
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| [c00d35] | 60 | delete(CenterOfGravity); | 
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| [f10b0c] | 61 | LOG(0, "Rotate " << mol->getName() << " around self by " << params.angle.get() << " radian around axis " << RotationAxis << "."); | 
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| [c00d35] | 62 |  | 
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|  | 63 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) { | 
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| [f10b0c] | 64 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle.get())); | 
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| [c00d35] | 65 | } | 
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| [47d041] | 66 | LOG(0, "done."); | 
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| [eaf4ae] | 67 | } | 
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|  | 68 |  | 
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| [c00d35] | 69 | return Action::state_ptr(new MoleculeRotateAroundSelfByAngleState(selectedMolecules, params)); | 
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| [eaf4ae] | 70 | } | 
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|  | 71 |  | 
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|  | 72 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performUndo(Action::state_ptr _state) { | 
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| [2204b0] | 73 | MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get()); | 
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|  | 74 |  | 
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| [c00d35] | 75 | BOOST_FOREACH(molecule *mol, state->selectedMolecules) { | 
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|  | 76 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity(); | 
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| [47d041] | 77 | LOG(0,  "Center of gravity is " << *CenterOfGravity << "."); | 
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| [f10b0c] | 78 | Line RotationAxis(*CenterOfGravity, state->params.Axis.get()); | 
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| [c00d35] | 79 | delete(CenterOfGravity); | 
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| [f10b0c] | 80 | LOG(0, "Rotate " << mol->getName() << " around self by " << -state->params.angle.get() << " radian around axis " << RotationAxis << "."); | 
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| [eaf4ae] | 81 |  | 
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| [c00d35] | 82 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) { | 
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| [f10b0c] | 83 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle.get())); | 
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| [c00d35] | 84 | } | 
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| [2204b0] | 85 | } | 
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| [eaf4ae] | 86 |  | 
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| [2204b0] | 87 | return Action::state_ptr(_state); | 
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| [eaf4ae] | 88 | } | 
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|  | 89 |  | 
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|  | 90 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performRedo(Action::state_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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|  | 94 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity(); | 
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| [47d041] | 95 | LOG(0,  "Center of gravity is " << *CenterOfGravity << "."); | 
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| [f10b0c] | 96 | Line RotationAxis(*CenterOfGravity, state->params.Axis.get()); | 
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| [c00d35] | 97 | delete(CenterOfGravity); | 
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| [f10b0c] | 98 | LOG(0, "Rotate " << mol->getName() << " around self by " << state->params.angle.get() << " radian around axis " << RotationAxis << "."); | 
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| [2204b0] | 99 |  | 
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| [c00d35] | 100 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) { | 
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| [f10b0c] | 101 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle.get())); | 
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| [c00d35] | 102 | } | 
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| [2204b0] | 103 | } | 
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|  | 104 |  | 
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|  | 105 | return Action::state_ptr(_state); | 
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| [eaf4ae] | 106 | } | 
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|  | 107 |  | 
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|  | 108 | bool MoleculeRotateAroundSelfByAngleAction::canUndo() { | 
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| [2204b0] | 109 | return true; | 
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| [eaf4ae] | 110 | } | 
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|  | 111 |  | 
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|  | 112 | bool MoleculeRotateAroundSelfByAngleAction::shouldUndo() { | 
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| [2204b0] | 113 | return true; | 
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| [eaf4ae] | 114 | } | 
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| [1fd675] | 115 | /** =========== end of function ====================== */ | 
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