[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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[c00d35] | 42 | // check whether a molecule is selected
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| 43 | std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules();
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| 44 | if (selectedMolecules.size() == 0)
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[90bc51] | 45 | return Action::failure;
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| 46 |
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[c00d35] | 47 | // go through all selected molecules
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| 48 | BOOST_FOREACH(molecule *mol, selectedMolecules) {
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| 49 | // check whether Axis is valid
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[f10b0c] | 50 | if (params.Axis.get().IsZero())
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[c00d35] | 51 | return Action::failure;
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| 52 |
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| 53 | // convert from degrees to radian
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[f10b0c] | 54 | params.angle.set(params.angle.get() * M_PI/180.);
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[c00d35] | 55 |
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| 56 | // Creation Line that is the rotation axis
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| 57 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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[47d041] | 58 | LOG(0, "Center of gravity is " << *CenterOfGravity << ".");
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[f10b0c] | 59 | Line RotationAxis(*CenterOfGravity, params.Axis.get());
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[c00d35] | 60 | delete(CenterOfGravity);
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[f10b0c] | 61 | LOG(0, "Rotate " << mol->getName() << " around self by " << params.angle.get() << " radian around axis " << RotationAxis << ".");
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[c00d35] | 62 |
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| 63 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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[f10b0c] | 64 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle.get()));
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[c00d35] | 65 | }
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[47d041] | 66 | LOG(0, "done.");
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[eaf4ae] | 67 | }
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| 68 |
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[c00d35] | 69 | return Action::state_ptr(new MoleculeRotateAroundSelfByAngleState(selectedMolecules, params));
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[eaf4ae] | 70 | }
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| 71 |
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| 72 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performUndo(Action::state_ptr _state) {
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[2204b0] | 73 | MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
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| 74 |
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[c00d35] | 75 | BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
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| 76 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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[47d041] | 77 | LOG(0, "Center of gravity is " << *CenterOfGravity << ".");
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[f10b0c] | 78 | Line RotationAxis(*CenterOfGravity, state->params.Axis.get());
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[c00d35] | 79 | delete(CenterOfGravity);
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[f10b0c] | 80 | LOG(0, "Rotate " << mol->getName() << " around self by " << -state->params.angle.get() << " radian around axis " << RotationAxis << ".");
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[eaf4ae] | 81 |
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[c00d35] | 82 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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[f10b0c] | 83 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle.get()));
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[c00d35] | 84 | }
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[2204b0] | 85 | }
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[eaf4ae] | 86 |
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[2204b0] | 87 | return Action::state_ptr(_state);
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[eaf4ae] | 88 | }
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| 89 |
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| 90 | Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performRedo(Action::state_ptr _state){
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[2204b0] | 91 | MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
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| 92 |
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[c00d35] | 93 | BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
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| 94 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
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[47d041] | 95 | LOG(0, "Center of gravity is " << *CenterOfGravity << ".");
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[f10b0c] | 96 | Line RotationAxis(*CenterOfGravity, state->params.Axis.get());
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[c00d35] | 97 | delete(CenterOfGravity);
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[f10b0c] | 98 | LOG(0, "Rotate " << mol->getName() << " around self by " << state->params.angle.get() << " radian around axis " << RotationAxis << ".");
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[2204b0] | 99 |
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[c00d35] | 100 | for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
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[f10b0c] | 101 | (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle.get()));
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[c00d35] | 102 | }
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[2204b0] | 103 | }
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| 104 |
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| 105 | return Action::state_ptr(_state);
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[eaf4ae] | 106 | }
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| 107 |
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| 108 | bool MoleculeRotateAroundSelfByAngleAction::canUndo() {
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[2204b0] | 109 | return true;
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[eaf4ae] | 110 | }
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| 111 |
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| 112 | bool MoleculeRotateAroundSelfByAngleAction::shouldUndo() {
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[2204b0] | 113 | return true;
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[eaf4ae] | 114 | }
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[1fd675] | 115 | /** =========== end of function ====================== */
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