[bbf6dc] | 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| 4 | * Copyright (C) 2014 Frederik Heber. All rights reserved.
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| 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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| 21 | */
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| 22 |
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| 23 | /*
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| 24 | * MirrorAction.cpp
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| 25 | *
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| 26 | * Created on: Sep 10, 2014
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| 27 | * Author: heber
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| 28 | */
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| 29 |
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| 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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[9eb71b3] | 35 | //#include "CodePatterns/MemDebug.hpp"
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[bbf6dc] | 36 |
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| 37 | #include "CodePatterns/Log.hpp"
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| 38 | #include "Atom/atom.hpp"
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| 39 | #include "LinearAlgebra/Plane.hpp"
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| 40 | #include "LinearAlgebra/Vector.hpp"
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| 41 | #include "CodePatterns/Verbose.hpp"
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| 42 | #include "World.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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| 48 | #include "Actions/AtomAction/MirrorAction.hpp"
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| 49 |
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| 50 | using namespace MoleCuilder;
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| 51 |
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| 52 | // and construct the stuff
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| 53 | #include "MirrorAction.def"
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| 54 | #include "Action_impl_pre.hpp"
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| 55 | /** =========== define the function ====================== */
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| 56 | ActionState::ptr AtomMirrorAction::performCall() {
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| 57 | Box &domain = World::getInstance().getDomain();
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| 58 | std::vector<atom *> selectedAtoms = World::getInstance().getSelectedAtoms();
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| 59 |
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| 60 | Plane *MirrorPlane = NULL;
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| 61 | std::vector<atom *>::iterator iter = selectedAtoms.begin();
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| 62 | try {
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| 63 | MirrorPlane = new Plane(params.normal.get(), params.offset.get());
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| 64 | for (; iter != selectedAtoms.end(); ++iter) {
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| 65 | (*iter)->setPosition(MirrorPlane->mirrorVector((*iter)->getPosition()));
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| 66 | if (params.periodic.get())
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| 67 | (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition()));
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| 68 | }
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| 69 | } catch( LinearAlgebraException &e) {
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| 70 | // flip back
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| 71 | for (std::vector<atom *>::iterator undoiter = selectedAtoms.begin();
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| 72 | undoiter != iter; ++undoiter)
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| 73 | (*iter)->setPosition(MirrorPlane->mirrorVector((*iter)->getPosition()));
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| 74 | delete MirrorPlane;
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| 75 | return Action::failure;
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| 76 | }
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| 77 | delete MirrorPlane;
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| 78 |
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| 79 | return ActionState::ptr(new AtomMirrorState(selectedAtoms, params));
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| 80 | }
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| 81 |
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| 82 | ActionState::ptr AtomMirrorAction::performUndo(ActionState::ptr _state) {
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| 83 | AtomMirrorState *state = assert_cast<AtomMirrorState*>(_state.get());
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| 84 | Box &domain = World::getInstance().getDomain();
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| 85 |
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| 86 | Plane MirrorPlane(state->params.normal.get(), state->params.offset.get());
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| 87 | for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) {
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| 88 | (*iter)->setPosition(MirrorPlane.mirrorVector((*iter)->getPosition()));
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| 89 | if (state->params.periodic.get())
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| 90 | (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition()));
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| 91 | }
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| 92 |
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| 93 | return ActionState::ptr(_state);
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| 94 | }
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| 95 |
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| 96 | ActionState::ptr AtomMirrorAction::performRedo(ActionState::ptr _state){
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| 97 | AtomMirrorState *state = assert_cast<AtomMirrorState*>(_state.get());
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| 98 | Box &domain = World::getInstance().getDomain();
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| 99 |
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| 100 | Plane MirrorPlane(state->params.normal.get(), state->params.offset.get());
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| 101 | for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) {
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| 102 | (*iter)->setPosition(MirrorPlane.mirrorVector((*iter)->getPosition()));
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| 103 | if (state->params.periodic.get())
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| 104 | (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition()));
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| 105 | }
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| 106 |
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| 107 | return ActionState::ptr(_state);
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| 108 | }
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| 109 |
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| 110 | bool AtomMirrorAction::canUndo() {
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| 111 | return true;
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| 112 | }
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| 113 |
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| 114 | bool AtomMirrorAction::shouldUndo() {
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| 115 | return true;
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| 116 | }
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| 117 | /** =========== end of function ====================== */
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