| [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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