source: src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp@ 23b6cf

Last change on this file since 23b6cf was 833b15, checked in by Frederik Heber <heber@…>, 11 years ago

FIX: Changes to function signatures in molecule_geometry.

  • no more returning allocated pointer (Vector *)
  • no more Pointers as parameters.
  • removed functions that are only convenience and have nothing to do with the molecule.
  • changes elsewhere due to signature changes.
  • Property mode set to 100644
File size: 4.7 KB
Line 
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
50using namespace MoleCuilder;
51
52// and construct the stuff
53#include "RotateAroundSelfByAngleAction.def"
54#include "Action_impl_pre.hpp"
55/** =========== define the function ====================== */
56ActionState::ptr MoleculeRotateAroundSelfByAngleAction::performCall() {
57 // check whether a molecule is selected
58 std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules();
59 if (selectedMolecules.size() == 0) {
60 STATUS("There are need to be some molecules selected.");
61 return Action::failure;
62 }
63
64 // go through all selected molecules
65 BOOST_FOREACH(molecule *mol, selectedMolecules) {
66 // check whether Axis is valid
67 if (params.Axis.get().IsZero()) {
68 STATUS("Rotation Axis must not be zero.");
69 return Action::failure;
70 }
71
72 // convert from degrees to radian
73 params.angle.set(params.angle.get() * M_PI/180.);
74
75 // Creation Line that is the rotation axis
76 const Vector CenterOfGravity = mol->DetermineCenterOfGravity();
77 LOG(0, "Center of gravity is " << CenterOfGravity << ".");
78 Line RotationAxis(CenterOfGravity, params.Axis.get());
79 LOG(0, "Rotate " << mol->getName() << " around self by " << params.angle.get() << " radian around axis " << RotationAxis << ".");
80
81 for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
82 (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle.get()));
83 }
84 LOG(0, "done.");
85 }
86
87 return ActionState::ptr(new MoleculeRotateAroundSelfByAngleState(selectedMolecules, params));
88}
89
90ActionState::ptr MoleculeRotateAroundSelfByAngleAction::performUndo(ActionState::ptr _state) {
91 MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
92
93 BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
94 const Vector CenterOfGravity = mol->DetermineCenterOfGravity();
95 LOG(0, "Center of gravity is " <<CenterOfGravity << ".");
96 Line RotationAxis(CenterOfGravity, state->params.Axis.get());
97 LOG(0, "Rotate " << mol->getName() << " around self by " << -state->params.angle.get() << " radian around axis " << RotationAxis << ".");
98
99 for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
100 (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle.get()));
101 }
102 }
103
104 return ActionState::ptr(_state);
105}
106
107ActionState::ptr MoleculeRotateAroundSelfByAngleAction::performRedo(ActionState::ptr _state){
108 MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
109
110 BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
111 const Vector CenterOfGravity = mol->DetermineCenterOfGravity();
112 LOG(0, "Center of gravity is " << CenterOfGravity << ".");
113 Line RotationAxis(CenterOfGravity, state->params.Axis.get());
114 LOG(0, "Rotate " << mol->getName() << " around self by " << state->params.angle.get() << " radian around axis " << RotationAxis << ".");
115
116 for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
117 (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle.get()));
118 }
119 }
120
121 return ActionState::ptr(_state);
122}
123
124bool MoleculeRotateAroundSelfByAngleAction::canUndo() {
125 return true;
126}
127
128bool MoleculeRotateAroundSelfByAngleAction::shouldUndo() {
129 return true;
130}
131/** =========== end of function ====================== */
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