| 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)  2010-2012 University of Bonn. 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 | * 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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| 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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| 35 | //#include "CodePatterns/MemDebug.hpp" | 
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| 36 |  | 
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| 37 | #include "Actions/UndoRedoHelpers.hpp" | 
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| 38 | #include "Descriptors/AtomIdDescriptor.hpp" | 
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| 39 | #include "Atom/atom.hpp" | 
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| 40 | #include "Element/element.hpp" | 
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| 41 | #include "CodePatterns/Log.hpp" | 
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| 42 | #include "molecule.hpp" | 
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| 43 | #include "LinearAlgebra/Vector.hpp" | 
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| 44 | #include "CodePatterns/Verbose.hpp" | 
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| 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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| 50 | #include "Actions/AtomAction/AddAction.hpp" | 
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| 51 |  | 
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| 52 | using namespace MoleCuilder; | 
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| 53 |  | 
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| 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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| 58 | atom * getNewAtom(const AtomAddAction::AtomAddParameters &_params) | 
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| 59 | { | 
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| 60 | atom * first = World::getInstance().createAtom(); | 
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| 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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| 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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| 70 |  | 
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| 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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| 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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| 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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| 85 | } | 
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| 86 | } else { | 
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| 87 | atom * first = getNewAtom(params); | 
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| 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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| 93 | molId = mol->getId(); | 
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| 94 | Walkers.push_back(AtomicInfo(*first)); | 
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| 95 | } | 
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| 96 | WalkersInMolecule_t WalkersInMolecule = { { molId, Walkers } }; | 
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| 97 |  | 
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| 98 |  | 
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| 99 | // create undo state | 
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| 100 | AtomAddState *UndoState = new AtomAddState(WalkersInMolecule, params); | 
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| 101 |  | 
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| 102 | if ((molecules.size() > 1) || (Walkers.empty())) | 
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| 103 | return Action::failure; | 
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| 104 | else | 
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| 105 | return ActionState::ptr(UndoState); | 
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| 106 | } | 
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| 107 |  | 
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| 108 | ActionState::ptr AtomAddAction::performUndo(ActionState::ptr _state){ | 
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| 109 | AtomAddState *state = assert_cast<AtomAddState*>(_state.get()); | 
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| 110 |  | 
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| 111 | // simple remove again all previously added atoms | 
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| 112 | RemoveAtomsFromAtomicInfo(state->WalkersInMolecule.begin()->second); | 
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| 113 |  | 
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| 114 | return ActionState::ptr(_state); | 
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| 115 | } | 
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| 116 |  | 
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| 117 | ActionState::ptr AtomAddAction::performRedo(ActionState::ptr _state) { | 
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| 118 | AtomAddState *state = assert_cast<AtomAddState*>(_state.get()); | 
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| 119 |  | 
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| 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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| 125 | return Action::failure; | 
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| 126 | } | 
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| 127 | } | 
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| 128 |  | 
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| 129 | bool AtomAddAction::canUndo() { | 
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| 130 | return true; | 
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| 131 | } | 
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| 132 |  | 
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| 133 | bool AtomAddAction::shouldUndo() { | 
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| 134 | return true; | 
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| 135 | } | 
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| 136 | /** =========== end of function ====================== */ | 
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