| [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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| [97ebf8] | 23 | /*
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| 24 | * AddAction.cpp
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| 25 | *
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| 26 | * Created on: May 9, 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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| [9eb71b3] | 35 | //#include "CodePatterns/MemDebug.hpp"
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| [112b09] | 36 |
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| [399c69] | 37 | #include "Actions/UndoRedoHelpers.hpp"
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| [ea2830] | 38 | #include "Descriptors/AtomIdDescriptor.hpp"
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| [6f0841] | 39 | #include "Atom/atom.hpp"
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| [3bdb6d] | 40 | #include "Element/element.hpp"
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| [ad011c] | 41 | #include "CodePatterns/Log.hpp"
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| [f0a3ec] | 42 | #include "molecule.hpp"
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| [57f243] | 43 | #include "LinearAlgebra/Vector.hpp"
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| [ad011c] | 44 | #include "CodePatterns/Verbose.hpp"
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| [97ebf8] | 45 | #include "World.hpp"
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| 46 |
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| 47 | #include <iostream>
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| 48 | #include <string>
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| 49 |
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| [8bb05e] | 50 | #include "Actions/AtomAction/AddAction.hpp"
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| [9d33ba] | 51 |
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| [ce7fdc] | 52 | using namespace MoleCuilder;
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| 53 |
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| [8bb05e] | 54 | // and construct the stuff
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| 55 | #include "AddAction.def"
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| 56 | #include "Action_impl_pre.hpp"
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| 57 | /** =========== define the function ====================== */
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| [ceaab1] | 58 | atom * getNewAtom(const AtomAddAction::AtomAddParameters &_params)
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| 59 | {
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| [85537a] | 60 | atom * first = World::getInstance().createAtom();
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| [ceaab1] | 61 | first->setType(_params.elemental.get());
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| 62 | first->setPosition(_params.position.get());
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| 63 |
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| 64 | return first;
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| 65 | }
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| 66 |
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| [399c69] | 67 | ActionState::ptr AtomAddAction::performCall() {
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| 68 | // execute action
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| 69 | std::vector<molecule *> molecules = World::getInstance().getSelectedMolecules();
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| [8ad68b] | 70 |
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| [399c69] | 71 | std::vector<AtomicInfo> Walkers;
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| 72 | moleculeId_t molId = -1;
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| 73 | if (!molecules.empty()) {
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| 74 | if (molecules.size() == 1) {
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| 75 | atom *first = getNewAtom(params);
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| 76 | molecule *mol = *molecules.begin();
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| [ceaab1] | 77 | LOG(1, "Adding new atom with element " << first->getType()->getName()
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| 78 | << " at " << (first->getPosition()) << " to selected molecule "
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| 79 | << mol->getName()+".");
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| 80 | mol->AddAtom(first);
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| [399c69] | 81 | molId = mol->getId();
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| 82 | Walkers.push_back(AtomicInfo(*first));
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| 83 | } else {
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| 84 | ELOG(1, "Multiple molecules selected. Cannot add atom to multiple molecules.");
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| [ceaab1] | 85 | }
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| 86 | } else {
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| [399c69] | 87 | atom * first = getNewAtom(params);
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| [ceaab1] | 88 | molecule *mol = World::getInstance().createMolecule();
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| 89 | mol->setName("none");
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| 90 | mol->AddAtom(first);
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| 91 | LOG(1, "Adding new atom with element " << first->getType()->getName()
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| 92 | << " at " << (first->getPosition()) << " to new molecule.");
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| [399c69] | 93 | molId = mol->getId();
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| 94 | Walkers.push_back(AtomicInfo(*first));
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| [97ebf8] | 95 | }
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| [399c69] | 96 | WalkersInMolecule_t WalkersInMolecule = { { molId, Walkers } };
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| [ceaab1] | 97 |
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| 98 |
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| [399c69] | 99 | // create undo state
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| 100 | AtomAddState *UndoState = new AtomAddState(WalkersInMolecule, params);
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| [8ad68b] | 101 |
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| [399c69] | 102 | if ((molecules.size() > 1) || (Walkers.empty()))
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| [ceaab1] | 103 | return Action::failure;
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| 104 | else
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| [399c69] | 105 | return ActionState::ptr(UndoState);
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| [97ebf8] | 106 | }
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| 107 |
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| [399c69] | 108 | ActionState::ptr AtomAddAction::performUndo(ActionState::ptr _state){
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| [ea2830] | 109 | AtomAddState *state = assert_cast<AtomAddState*>(_state.get());
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| [97ebf8] | 110 |
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| [399c69] | 111 | // simple remove again all previously added atoms
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| 112 | RemoveAtomsFromAtomicInfo(state->WalkersInMolecule.begin()->second);
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| [ea2830] | 113 |
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| [b5b01e] | 114 | return ActionState::ptr(_state);
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| [97ebf8] | 115 | }
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| 116 |
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| [399c69] | 117 | ActionState::ptr AtomAddAction::performRedo(ActionState::ptr _state) {
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| [ea2830] | 118 | AtomAddState *state = assert_cast<AtomAddState*>(_state.get());
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| 119 |
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| [399c69] | 120 | // add all removed atoms again
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| 121 | if (AddMoleculesFromAtomicInfo(state->WalkersInMolecule))
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| 122 | return ActionState::ptr(_state);
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| 123 | else {
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| 124 | STATUS("Failed to re-add removed atoms.");
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| [ceaab1] | 125 | return Action::failure;
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| [ea2830] | 126 | }
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| [97ebf8] | 127 | }
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| 128 |
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| 129 | bool AtomAddAction::canUndo() {
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| [ea2830] | 130 | return true;
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| [97ebf8] | 131 | }
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| 132 |
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| 133 | bool AtomAddAction::shouldUndo() {
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| [ea2830] | 134 | return true;
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| [97ebf8] | 135 | }
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| [8bb05e] | 136 | /** =========== end of function ====================== */
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