[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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[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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[47d041] | 61 | LOG(0, "Center of gravity is " << *CenterOfGravity << ".");
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[c00d35] | 62 | Line RotationAxis(*CenterOfGravity, params.Axis);
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| 63 | delete(CenterOfGravity);
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[47d041] | 64 | LOG(0, "Rotate " << mol->getName() << " around self by " << params.angle << " radian around axis " << RotationAxis << ".");
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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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[47d041] | 69 | LOG(0, "done.");
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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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[47d041] | 80 | LOG(0, "Center of gravity is " << *CenterOfGravity << ".");
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[c00d35] | 81 | Line RotationAxis(*CenterOfGravity, state->params.Axis);
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| 82 | delete(CenterOfGravity);
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[47d041] | 83 | LOG(0, "Rotate " << mol->getName() << " around self by " << -state->params.angle << " radian around axis " << RotationAxis << ".");
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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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[47d041] | 98 | LOG(0, "Center of gravity is " << *CenterOfGravity << ".");
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[c00d35] | 99 | Line RotationAxis(*CenterOfGravity, state->params.Axis);
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| 100 | delete(CenterOfGravity);
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[47d041] | 101 | LOG(0, "Rotate " << mol->getName() << " around self by " << state->params.angle << " radian around axis " << RotationAxis << ".");
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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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