source: src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.cpp@ 43a0ae

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Last change on this file since 43a0ae was b7fbf0, checked in by Frederik Heber <heber@…>, 14 years ago

FIX: select-molecule-by-id crashed when no molecules are present.

  • each molecule selection action checks whether molecules are present at all
  • rewrote MoleculeByIdActions to take integer from command-line not molecule reference and perform the MoleculeById selection themselves (as do all other Actions, too).
  • this fixes ticket #134.
  • Property mode set to 100644
File size: 3.0 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * MoleculeByFormulaAction.cpp
10 *
11 * Created on: May 12, 2010
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "CodePatterns/MemDebug.hpp"
21
22#include "Descriptors/MoleculeFormulaDescriptor.hpp"
23#include "Descriptors/MoleculeSelectionDescriptor.hpp"
24#include "molecule.hpp"
25#include "CodePatterns/Log.hpp"
26#include "CodePatterns/Verbose.hpp"
27#include "World.hpp"
28
29#include <boost/foreach.hpp>
30#include <iostream>
31#include <string>
32
33using namespace std;
34
35#include "MoleculeByFormulaAction.hpp"
36
37// and construct the stuff
38#include "MoleculeByFormulaAction.def"
39#include "Action_impl_pre.hpp"
40/** =========== define the function ====================== */
41Action::state_ptr SelectionMoleculeByFormulaAction::performCall() {
42 // obtain information
43 getParametersfromValueStorage();
44
45 // check whether molecules are present at all
46 if (World::getInstance().numMolecules() == 0) {
47 ELOG(1, "No molecules present in the world to select!");
48 return Action::failure;
49 }
50
51 DoLog(1) && (Log() << Verbose(1) << "Selecting molecules with chemical formula " << params.formula << ":" << endl);
52// std::vector<molecule *> matchingMolecules = World::getInstance().getAllMolecules(MoleculeByFormula(params.formula));
53 std::vector<molecule *> selectedMolecules =
54 World::getInstance().getAllMolecules(MoleculesBySelection() && MoleculeByFormula(params.formula));
55// BOOST_FOREACH(molecule *mol, matchingMolecules)
56// DoLog(1) && (Log() << Verbose(1) << "\t" << mol->getId() << ", " << mol->getName() << "." << endl);
57 World::getInstance().selectAllMolecules(MoleculeByFormula(params.formula));
58 DoLog(0) && (Log() << Verbose(0) << World::getInstance().countSelectedMolecules() << " molecules selected." << endl);
59 return Action::state_ptr(new SelectionMoleculeByFormulaState(selectedMolecules,params));
60}
61
62Action::state_ptr SelectionMoleculeByFormulaAction::performUndo(Action::state_ptr _state) {
63 SelectionMoleculeByFormulaState *state = assert_cast<SelectionMoleculeByFormulaState*>(_state.get());
64
65 World::getInstance().unselectAllMolecules(MoleculeByFormula(state->params.formula));
66 BOOST_FOREACH( molecule *mol, state->selectedMolecules)
67 World::getInstance().selectMolecule(mol);
68
69 return Action::state_ptr(_state);
70}
71
72Action::state_ptr SelectionMoleculeByFormulaAction::performRedo(Action::state_ptr _state){
73 SelectionMoleculeByFormulaState *state = assert_cast<SelectionMoleculeByFormulaState*>(_state.get());
74
75 World::getInstance().selectAllMolecules(MoleculeByFormula(state->params.formula));
76
77 return Action::state_ptr(_state);
78}
79
80bool SelectionMoleculeByFormulaAction::canUndo() {
81 return true;
82}
83
84bool SelectionMoleculeByFormulaAction::shouldUndo() {
85 return true;
86}
87/** =========== end of function ====================== */
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