| [bcf653] | 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 University of Bonn. All rights reserved.
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 | 5 |  * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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 | 6 |  */
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 | 7 | 
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| [51769f] | 8 | /*
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 | 9 |  * MoleculeByFormulaAction.cpp
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 | 10 |  *
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 | 11 |  *  Created on: May 12, 2010
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 | 12 |  *      Author: heber
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 | 13 |  */
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 | 14 | 
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 | 15 | // include config.h
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 | 16 | #ifdef HAVE_CONFIG_H
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 | 17 | #include <config.h>
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 | 18 | #endif
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 | 19 | 
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| [ad011c] | 20 | #include "CodePatterns/MemDebug.hpp"
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| [51769f] | 21 | 
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 | 22 | #include "Descriptors/MoleculeFormulaDescriptor.hpp"
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| [92d756] | 23 | #include "Descriptors/MoleculeSelectionDescriptor.hpp"
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| [51769f] | 24 | #include "molecule.hpp"
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| [ad011c] | 25 | #include "CodePatterns/Log.hpp"
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 | 26 | #include "CodePatterns/Verbose.hpp"
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| [51769f] | 27 | #include "World.hpp"
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 | 28 | 
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| [92d756] | 29 | #include <boost/foreach.hpp>
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| [51769f] | 30 | #include <iostream>
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 | 31 | #include <string>
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 | 32 | 
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 | 33 | using namespace std;
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 | 34 | 
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| [125002] | 35 | #include "MoleculeByFormulaAction.hpp"
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| [51769f] | 36 | 
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| [1fd675] | 37 | // and construct the stuff
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 | 38 | #include "MoleculeByFormulaAction.def"
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 | 39 | #include "Action_impl_pre.hpp"
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 | 40 | /** =========== define the function ====================== */
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| [51769f] | 41 | Action::state_ptr SelectionMoleculeByFormulaAction::performCall() {
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| [1fd675] | 42 |   // obtain information
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 | 43 |   getParametersfromValueStorage();
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| [51769f] | 44 | 
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| [1fd675] | 45 |   DoLog(1) && (Log() << Verbose(1) << "Selecting molecules with chemical formula " << params.formula << ":" << endl);
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| [92d756] | 46 | //  std::vector<molecule *> matchingMolecules = World::getInstance().getAllMolecules(MoleculeByFormula(params.formula));
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 | 47 |   std::vector<molecule *> selectedMolecules =
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 | 48 |       World::getInstance().getAllMolecules(MoleculesBySelection() && MoleculeByFormula(params.formula));
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 | 49 | //  BOOST_FOREACH(molecule *mol, matchingMolecules)
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 | 50 | //    DoLog(1) && (Log() << Verbose(1) << "\t" << mol->getId() << ", " << mol->getName() << "." << endl);
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| [1fd675] | 51 |   World::getInstance().selectAllMolecules(MoleculeByFormula(params.formula));
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| [aa4b2d] | 52 |   DoLog(0) && (Log() << Verbose(0) << World::getInstance().countSelectedMolecules() << " molecules selected." << endl);
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| [1fd675] | 53 |   return Action::state_ptr(new SelectionMoleculeByFormulaState(selectedMolecules,params));
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| [51769f] | 54 | }
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 | 55 | 
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 | 56 | Action::state_ptr SelectionMoleculeByFormulaAction::performUndo(Action::state_ptr _state) {
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 | 57 |   SelectionMoleculeByFormulaState *state = assert_cast<SelectionMoleculeByFormulaState*>(_state.get());
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 | 58 | 
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| [92d756] | 59 |   World::getInstance().unselectAllMolecules(MoleculeByFormula(state->params.formula));
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 | 60 |   BOOST_FOREACH( molecule *mol, state->selectedMolecules)
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 | 61 |     World::getInstance().selectMolecule(mol);
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| [51769f] | 62 | 
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 | 63 |   return Action::state_ptr(_state);
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 | 64 | }
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 | 65 | 
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 | 66 | Action::state_ptr SelectionMoleculeByFormulaAction::performRedo(Action::state_ptr _state){
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 | 67 |   SelectionMoleculeByFormulaState *state = assert_cast<SelectionMoleculeByFormulaState*>(_state.get());
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 | 68 | 
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| [1fd675] | 69 |   World::getInstance().selectAllMolecules(MoleculeByFormula(state->params.formula));
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| [51769f] | 70 | 
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 | 71 |   return Action::state_ptr(_state);
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 | 72 | }
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 | 73 | 
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 | 74 | bool SelectionMoleculeByFormulaAction::canUndo() {
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 | 75 |   return true;
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 | 76 | }
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 | 77 | 
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 | 78 | bool SelectionMoleculeByFormulaAction::shouldUndo() {
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 | 79 |   return true;
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 | 80 | }
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| [1fd675] | 81 | /** =========== end of function ====================== */
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