[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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[94d5ac6] | 5 | *
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| 6 | *
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| 7 | * This file is part of MoleCuilder.
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| 8 | *
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| 9 | * MoleCuilder is free software: you can redistribute it and/or modify
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| 10 | * it under the terms of the GNU General Public License as published by
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| 11 | * the Free Software Foundation, either version 2 of the License, or
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| 12 | * (at your option) any later version.
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| 13 | *
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| 14 | * MoleCuilder is distributed in the hope that it will be useful,
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| 15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 17 | * GNU General Public License for more details.
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| 18 | *
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| 19 | * You should have received a copy of the GNU General Public License
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| 20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
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[bcf653] | 21 | */
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| 22 |
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[eaf4ae] | 23 | /*
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| 24 | * RotateAroundSelfByAngleAction.cpp
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| 25 | *
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| 26 | * Created on: Aug 06, 2010
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| 27 | * Author: heber
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| 28 | */
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| 29 |
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[bf3817] | 30 | // include config.h
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| 31 | #ifdef HAVE_CONFIG_H
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| 32 | #include <config.h>
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| 33 | #endif
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| 34 |
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[ad011c] | 35 | #include "CodePatterns/MemDebug.hpp"
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[eaf4ae] | 36 |
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[ad011c] | 37 | #include "CodePatterns/Log.hpp"
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| 38 | #include "CodePatterns/Verbose.hpp"
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[eaf4ae] | 39 | #include "LinearAlgebra/Line.hpp"
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| 40 | #include "LinearAlgebra/Vector.hpp"
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[6f0841] | 41 | #include "Atom/atom.hpp"
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[eaf4ae] | 42 | #include "molecule.hpp"
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| 43 |
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| 44 | #include <iostream>
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| 45 | #include <fstream>
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| 46 | #include <string>
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| 47 |
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[1fd675] | 48 | #include "Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp"
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[eaf4ae] | 49 |
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[ce7fdc] | 50 | using namespace MoleCuilder;
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| 51 |
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[1fd675] | 52 | // and construct the stuff
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| 53 | #include "RotateAroundSelfByAngleAction.def"
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| 54 | #include "Action_impl_pre.hpp"
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| 55 | /** =========== define the function ====================== */
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[eaf4ae] | 56 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performCall() {
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[c00d35] | 57 | // check whether a molecule is selected
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| 58 | std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules();
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| 59 | if (selectedMolecules.size() == 0)
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[90bc51] | 60 | return Action::failure;
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| 61 |
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[c00d35] | 62 | // go through all selected molecules
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| 63 | BOOST_FOREACH(molecule *mol, selectedMolecules) {
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| 64 | // check whether Axis is valid
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[f10b0c] | 65 | if (params.Axis.get().IsZero())
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[c00d35] | 66 | return Action::failure;
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| 67 |
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| 68 | // convert from degrees to radian
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[f10b0c] | 69 | params.angle.set(params.angle.get() * M_PI/180.);
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[c00d35] | 70 |
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| 71 | // Creation Line that is the rotation axis
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| 72 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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[47d041] | 73 | LOG(0, "Center of gravity is " << *CenterOfGravity << ".");
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[f10b0c] | 74 | Line RotationAxis(*CenterOfGravity, params.Axis.get());
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[c00d35] | 75 | delete(CenterOfGravity);
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[f10b0c] | 76 | LOG(0, "Rotate " << mol->getName() << " around self by " << params.angle.get() << " radian around axis " << RotationAxis << ".");
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[c00d35] | 77 |
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| 78 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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[f10b0c] | 79 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle.get()));
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[c00d35] | 80 | }
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[47d041] | 81 | LOG(0, "done.");
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[eaf4ae] | 82 | }
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| 83 |
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[c00d35] | 84 | return Action::state_ptr(new MoleculeRotateAroundSelfByAngleState(selectedMolecules, params));
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[eaf4ae] | 85 | }
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| 86 |
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| 87 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performUndo(Action::state_ptr _state) {
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[2204b0] | 88 | MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
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| 89 |
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[c00d35] | 90 | BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
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| 91 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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[47d041] | 92 | LOG(0, "Center of gravity is " << *CenterOfGravity << ".");
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[f10b0c] | 93 | Line RotationAxis(*CenterOfGravity, state->params.Axis.get());
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[c00d35] | 94 | delete(CenterOfGravity);
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[f10b0c] | 95 | LOG(0, "Rotate " << mol->getName() << " around self by " << -state->params.angle.get() << " radian around axis " << RotationAxis << ".");
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[eaf4ae] | 96 |
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[c00d35] | 97 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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[f10b0c] | 98 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle.get()));
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[c00d35] | 99 | }
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[2204b0] | 100 | }
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[eaf4ae] | 101 |
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[2204b0] | 102 | return Action::state_ptr(_state);
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[eaf4ae] | 103 | }
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| 104 |
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| 105 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performRedo(Action::state_ptr _state){
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[2204b0] | 106 | MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
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| 107 |
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[c00d35] | 108 | BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
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| 109 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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[47d041] | 110 | LOG(0, "Center of gravity is " << *CenterOfGravity << ".");
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[f10b0c] | 111 | Line RotationAxis(*CenterOfGravity, state->params.Axis.get());
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[c00d35] | 112 | delete(CenterOfGravity);
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[f10b0c] | 113 | LOG(0, "Rotate " << mol->getName() << " around self by " << state->params.angle.get() << " radian around axis " << RotationAxis << ".");
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[2204b0] | 114 |
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[c00d35] | 115 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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[f10b0c] | 116 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle.get()));
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[c00d35] | 117 | }
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[2204b0] | 118 | }
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| 119 |
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| 120 | return Action::state_ptr(_state);
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[eaf4ae] | 121 | }
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| 122 |
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| 123 | bool MoleculeRotateAroundSelfByAngleAction::canUndo() {
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[2204b0] | 124 | return true;
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[eaf4ae] | 125 | }
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| 126 |
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| 127 | bool MoleculeRotateAroundSelfByAngleAction::shouldUndo() {
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[2204b0] | 128 | return true;
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[eaf4ae] | 129 | }
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[1fd675] | 130 | /** =========== end of function ====================== */
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