| 1 | /* | 
|---|
| 2 | * Project: MoleCuilder | 
|---|
| 3 | * Description: creates and alters molecular systems | 
|---|
| 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
|---|
| 5 | * | 
|---|
| 6 | * | 
|---|
| 7 | *   This file is part of MoleCuilder. | 
|---|
| 8 | * | 
|---|
| 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
|---|
| 10 | *    it under the terms of the GNU General Public License as published by | 
|---|
| 11 | *    the Free Software Foundation, either version 2 of the License, or | 
|---|
| 12 | *    (at your option) any later version. | 
|---|
| 13 | * | 
|---|
| 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
|---|
| 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
|---|
| 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
|---|
| 17 | *    GNU General Public License for more details. | 
|---|
| 18 | * | 
|---|
| 19 | *    You should have received a copy of the GNU General Public License | 
|---|
| 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
|---|
| 21 | */ | 
|---|
| 22 |  | 
|---|
| 23 | /* | 
|---|
| 24 | * RotateAroundSelfByAngleAction.cpp | 
|---|
| 25 | * | 
|---|
| 26 | *  Created on: Aug 06, 2010 | 
|---|
| 27 | *      Author: heber | 
|---|
| 28 | */ | 
|---|
| 29 |  | 
|---|
| 30 | // include config.h | 
|---|
| 31 | #ifdef HAVE_CONFIG_H | 
|---|
| 32 | #include <config.h> | 
|---|
| 33 | #endif | 
|---|
| 34 |  | 
|---|
| 35 | #include "CodePatterns/MemDebug.hpp" | 
|---|
| 36 |  | 
|---|
| 37 | #include "CodePatterns/Log.hpp" | 
|---|
| 38 | #include "CodePatterns/Verbose.hpp" | 
|---|
| 39 | #include "LinearAlgebra/Line.hpp" | 
|---|
| 40 | #include "LinearAlgebra/Vector.hpp" | 
|---|
| 41 | #include "Atom/atom.hpp" | 
|---|
| 42 | #include "molecule.hpp" | 
|---|
| 43 |  | 
|---|
| 44 | #include <iostream> | 
|---|
| 45 | #include <fstream> | 
|---|
| 46 | #include <string> | 
|---|
| 47 |  | 
|---|
| 48 | #include "Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp" | 
|---|
| 49 |  | 
|---|
| 50 | using namespace MoleCuilder; | 
|---|
| 51 |  | 
|---|
| 52 | // and construct the stuff | 
|---|
| 53 | #include "RotateAroundSelfByAngleAction.def" | 
|---|
| 54 | #include "Action_impl_pre.hpp" | 
|---|
| 55 | /** =========== define the function ====================== */ | 
|---|
| 56 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performCall() { | 
|---|
| 57 | // check whether a molecule is selected | 
|---|
| 58 | std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules(); | 
|---|
| 59 | if (selectedMolecules.size() == 0) | 
|---|
| 60 | return Action::failure; | 
|---|
| 61 |  | 
|---|
| 62 | // go through all selected molecules | 
|---|
| 63 | BOOST_FOREACH(molecule *mol, selectedMolecules) { | 
|---|
| 64 | // check whether Axis is valid | 
|---|
| 65 | if (params.Axis.get().IsZero()) | 
|---|
| 66 | return Action::failure; | 
|---|
| 67 |  | 
|---|
| 68 | // convert from degrees to radian | 
|---|
| 69 | params.angle.set(params.angle.get() * M_PI/180.); | 
|---|
| 70 |  | 
|---|
| 71 | // Creation Line that is the rotation axis | 
|---|
| 72 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity(); | 
|---|
| 73 | LOG(0,  "Center of gravity is " << *CenterOfGravity << "."); | 
|---|
| 74 | Line RotationAxis(*CenterOfGravity, params.Axis.get()); | 
|---|
| 75 | delete(CenterOfGravity); | 
|---|
| 76 | LOG(0, "Rotate " << mol->getName() << " around self by " << params.angle.get() << " radian around axis " << RotationAxis << "."); | 
|---|
| 77 |  | 
|---|
| 78 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) { | 
|---|
| 79 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle.get())); | 
|---|
| 80 | } | 
|---|
| 81 | LOG(0, "done."); | 
|---|
| 82 | } | 
|---|
| 83 |  | 
|---|
| 84 | return Action::state_ptr(new MoleculeRotateAroundSelfByAngleState(selectedMolecules, params)); | 
|---|
| 85 | } | 
|---|
| 86 |  | 
|---|
| 87 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performUndo(Action::state_ptr _state) { | 
|---|
| 88 | MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get()); | 
|---|
| 89 |  | 
|---|
| 90 | BOOST_FOREACH(molecule *mol, state->selectedMolecules) { | 
|---|
| 91 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity(); | 
|---|
| 92 | LOG(0,  "Center of gravity is " << *CenterOfGravity << "."); | 
|---|
| 93 | Line RotationAxis(*CenterOfGravity, state->params.Axis.get()); | 
|---|
| 94 | delete(CenterOfGravity); | 
|---|
| 95 | LOG(0, "Rotate " << mol->getName() << " around self by " << -state->params.angle.get() << " radian around axis " << RotationAxis << "."); | 
|---|
| 96 |  | 
|---|
| 97 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) { | 
|---|
| 98 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle.get())); | 
|---|
| 99 | } | 
|---|
| 100 | } | 
|---|
| 101 |  | 
|---|
| 102 | return Action::state_ptr(_state); | 
|---|
| 103 | } | 
|---|
| 104 |  | 
|---|
| 105 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performRedo(Action::state_ptr _state){ | 
|---|
| 106 | MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get()); | 
|---|
| 107 |  | 
|---|
| 108 | BOOST_FOREACH(molecule *mol, state->selectedMolecules) { | 
|---|
| 109 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity(); | 
|---|
| 110 | LOG(0,  "Center of gravity is " << *CenterOfGravity << "."); | 
|---|
| 111 | Line RotationAxis(*CenterOfGravity, state->params.Axis.get()); | 
|---|
| 112 | delete(CenterOfGravity); | 
|---|
| 113 | LOG(0, "Rotate " << mol->getName() << " around self by " << state->params.angle.get() << " radian around axis " << RotationAxis << "."); | 
|---|
| 114 |  | 
|---|
| 115 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) { | 
|---|
| 116 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle.get())); | 
|---|
| 117 | } | 
|---|
| 118 | } | 
|---|
| 119 |  | 
|---|
| 120 | return Action::state_ptr(_state); | 
|---|
| 121 | } | 
|---|
| 122 |  | 
|---|
| 123 | bool MoleculeRotateAroundSelfByAngleAction::canUndo() { | 
|---|
| 124 | return true; | 
|---|
| 125 | } | 
|---|
| 126 |  | 
|---|
| 127 | bool MoleculeRotateAroundSelfByAngleAction::shouldUndo() { | 
|---|
| 128 | return true; | 
|---|
| 129 | } | 
|---|
| 130 | /** =========== end of function ====================== */ | 
|---|