| [bcf653] | 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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| [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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 | 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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| [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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| [1fd675] | 42 |   // obtain information
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 | 43 |   getParametersfromValueStorage();
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| [eaf4ae] | 44 | 
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| [c00d35] | 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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| [90bc51] | 48 |     return Action::failure;
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 | 49 | 
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| [c00d35] | 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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| [e69c87] | 61 |     DoLog(0) && (Log() << Verbose(0) <<  "Center of gravity is " << *CenterOfGravity << "." << std::endl);
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| [c00d35] | 62 |     Line RotationAxis(*CenterOfGravity, params.Axis);
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 | 63 |     delete(CenterOfGravity);
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| [9b8387] | 64 |     DoLog(0) && (Log() << Verbose(0) << "Rotate " << mol->getName() << " around self by " << params.angle << " radian around axis " << RotationAxis << "." << endl);
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| [c00d35] | 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 |     DoLog(0) && (Log() << Verbose(0) << "done." << endl);
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| [eaf4ae] | 70 |   }
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 | 71 | 
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| [c00d35] | 72 |   return Action::state_ptr(new MoleculeRotateAroundSelfByAngleState(selectedMolecules, params));
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| [eaf4ae] | 73 | }
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 | 74 | 
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 | 75 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performUndo(Action::state_ptr _state) {
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| [2204b0] | 76 |   MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
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 | 77 | 
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| [c00d35] | 78 |   BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
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 | 79 |     Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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| [e69c87] | 80 |     DoLog(0) && (Log() << Verbose(0) <<  "Center of gravity is " << *CenterOfGravity << "." << std::endl);
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| [c00d35] | 81 |     Line RotationAxis(*CenterOfGravity, state->params.Axis);
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 | 82 |     delete(CenterOfGravity);
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| [e69c87] | 83 |     DoLog(0) && (Log() << Verbose(0) << "Rotate " << mol->getName() << " around self by " << -state->params.angle << " radian around axis " << RotationAxis << "." << endl);
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| [eaf4ae] | 84 | 
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| [c00d35] | 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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| [2204b0] | 88 |   }
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| [eaf4ae] | 89 | 
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| [2204b0] | 90 |   return Action::state_ptr(_state);
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| [eaf4ae] | 91 | }
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 | 92 | 
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 | 93 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performRedo(Action::state_ptr _state){
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| [2204b0] | 94 |   MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
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 | 95 | 
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| [c00d35] | 96 |   BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
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 | 97 |     Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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| [e69c87] | 98 |     DoLog(0) && (Log() << Verbose(0) <<  "Center of gravity is " << *CenterOfGravity << "." << std::endl);
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| [c00d35] | 99 |     Line RotationAxis(*CenterOfGravity, state->params.Axis);
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 | 100 |     delete(CenterOfGravity);
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| [e69c87] | 101 |     DoLog(0) && (Log() << Verbose(0) << "Rotate " << mol->getName() << " around self by " << state->params.angle << " radian around axis " << RotationAxis << "." << endl);
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| [2204b0] | 102 | 
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| [c00d35] | 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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| [2204b0] | 106 |   }
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 | 107 | 
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 | 108 |   return Action::state_ptr(_state);
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| [eaf4ae] | 109 | }
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 | 110 | 
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 | 111 | bool MoleculeRotateAroundSelfByAngleAction::canUndo() {
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| [2204b0] | 112 |   return true;
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| [eaf4ae] | 113 | }
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 | 114 | 
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 | 115 | bool MoleculeRotateAroundSelfByAngleAction::shouldUndo() {
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| [2204b0] | 116 |   return true;
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| [eaf4ae] | 117 | }
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| [1fd675] | 118 | /** =========== end of function ====================== */
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