| 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 | * MoleculeByFormulaAction.cpp | 
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| 25 | * | 
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| 26 | *  Created on: May 12, 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 "Descriptors/MoleculeFormulaDescriptor.hpp" | 
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| 38 | #include "Descriptors/MoleculeSelectionDescriptor.hpp" | 
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| 39 | #include "molecule.hpp" | 
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| 40 | #include "CodePatterns/Log.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 <boost/foreach.hpp> | 
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| 45 | #include <iostream> | 
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| 46 | #include <string> | 
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| 47 |  | 
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| 48 | #include "MoleculeByFormulaAction.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 "MoleculeByFormulaAction.def" | 
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| 54 | #include "Action_impl_pre.hpp" | 
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| 55 | /** =========== define the function ====================== */ | 
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| 56 | Action::state_ptr SelectionMoleculeByFormulaAction::performCall() { | 
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| 57 | LOG(1, "Selecting molecules with chemical formula " << params.formula.get() << ":"); | 
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| 58 | //  std::vector<molecule *> matchingMolecules = World::getInstance().getAllMolecules(MoleculeByFormula(params.formula.get())); | 
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| 59 | std::vector<molecule *> selectedMolecules = | 
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| 60 | World::getInstance().getAllMolecules(MoleculesBySelection() && MoleculeByFormula(params.formula.get())); | 
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| 61 | //  BOOST_FOREACH(molecule *mol, matchingMolecules) | 
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| 62 | //    LOG(1, "\t" << mol->getId() << ", " << mol->getName() << "."); | 
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| 63 | World::getInstance().selectAllMolecules(MoleculeByFormula(params.formula.get())); | 
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| 64 | LOG(0, World::getInstance().countSelectedMolecules() << " molecules selected."); | 
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| 65 | return Action::state_ptr(new SelectionMoleculeByFormulaState(selectedMolecules,params)); | 
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| 66 | } | 
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| 67 |  | 
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| 68 | Action::state_ptr SelectionMoleculeByFormulaAction::performUndo(Action::state_ptr _state) { | 
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| 69 | SelectionMoleculeByFormulaState *state = assert_cast<SelectionMoleculeByFormulaState*>(_state.get()); | 
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| 70 |  | 
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| 71 | World::getInstance().unselectAllMolecules(MoleculeByFormula(state->params.formula.get())); | 
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| 72 | BOOST_FOREACH( molecule *mol, state->selectedMolecules) | 
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| 73 | World::getInstance().selectMolecule(mol); | 
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| 74 |  | 
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| 75 | return Action::state_ptr(_state); | 
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| 76 | } | 
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| 77 |  | 
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| 78 | Action::state_ptr SelectionMoleculeByFormulaAction::performRedo(Action::state_ptr _state){ | 
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| 79 | SelectionMoleculeByFormulaState *state = assert_cast<SelectionMoleculeByFormulaState*>(_state.get()); | 
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| 80 |  | 
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| 81 | World::getInstance().selectAllMolecules(MoleculeByFormula(state->params.formula.get())); | 
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| 82 |  | 
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| 83 | return Action::state_ptr(_state); | 
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| 84 | } | 
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| 85 |  | 
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| 86 | bool SelectionMoleculeByFormulaAction::canUndo() { | 
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| 87 | return true; | 
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| 88 | } | 
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| 89 |  | 
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| 90 | bool SelectionMoleculeByFormulaAction::shouldUndo() { | 
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| 91 | return true; | 
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| 92 | } | 
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| 93 | /** =========== end of function ====================== */ | 
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