| [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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 | 50 |     if (params.Axis.IsZero())
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 | 51 |       return Action::failure;
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 | 52 | 
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 | 53 |     // convert from degrees to radian
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 | 54 |     params.angle *= M_PI/180.;
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 | 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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| [c00d35] | 59 |     Line RotationAxis(*CenterOfGravity, params.Axis);
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 | 60 |     delete(CenterOfGravity);
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| [47d041] | 61 |     LOG(0, "Rotate " << mol->getName() << " around self by " << params.angle << " 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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 | 64 |       (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle));
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 | 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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| [c00d35] | 78 |     Line RotationAxis(*CenterOfGravity, state->params.Axis);
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 | 79 |     delete(CenterOfGravity);
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| [47d041] | 80 |     LOG(0, "Rotate " << mol->getName() << " around self by " << -state->params.angle << " 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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 | 83 |       (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle));
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 | 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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| [c00d35] | 96 |     Line RotationAxis(*CenterOfGravity, state->params.Axis);
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 | 97 |     delete(CenterOfGravity);
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| [47d041] | 98 |     LOG(0, "Rotate " << mol->getName() << " around self by " << state->params.angle << " 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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 | 101 |       (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle));
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 | 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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