source: src/UIElements/CommandLineUI/Query/MoleculesCommandLineQuery.cpp@ 8c5e2a

Candidate_v1.6.1 ChemicalSpaceEvaluator Gui_displays_atomic_force_velocity PythonUI_with_named_parameters TremoloParser_IncreasedPrecision
Last change on this file since 8c5e2a was f4b6bc9, checked in by Frederik Heber <frederik.heber@…>, 7 years ago

Query::handle() no longer returns bool but has internal result flag.

  • we use this flag conditionally in setResult(), i.e. if the handle() has failed, then we should not set its result which might overwrite a present default value in the parameter.
  • this fixes the problem with StepWorldTime which has a default value of 1 but which was overwritten with 0 because of the non-conditionally calling of setResult().
  • this required change of "output-types" default parameter to an empty vector. So far, we were just lucky that this actually worked.
  • also StoreSaturatedFragmentAction needed the same change as default values have to be consistent over the specific token.
  • Property mode set to 100644
File size: 2.4 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 * Copyright (C) 2013 Frederik Heber. All rights reserved.
6 *
7 *
8 * This file is part of MoleCuilder.
9 *
10 * MoleCuilder is free software: you can redistribute it and/or modify
11 * it under the terms of the GNU General Public License as published by
12 * the Free Software Foundation, either version 2 of the License, or
13 * (at your option) any later version.
14 *
15 * MoleCuilder is distributed in the hope that it will be useful,
16 * but WITHOUT ANY WARRANTY; without even the implied warranty of
17 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18 * GNU General Public License for more details.
19 *
20 * You should have received a copy of the GNU General Public License
21 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
22 */
23
24/*
25 * MoleculesCommandLineQuery.cpp
26 *
27 * Created on: Oct 25, 2010
28 * Author: heber
29 */
30
31// include config.h
32#ifdef HAVE_CONFIG_H
33#include <config.h>
34#endif
35
36//#include "CodePatterns/MemDebug.hpp"
37
38#include <Descriptors/MoleculeDescriptor.hpp>
39#include <Descriptors/MoleculeIdDescriptor.hpp>
40
41#include "CommandLineUI/Query/CommandLineQuery.hpp"
42#include "CommandLineUI/CommandLineParser.hpp"
43#include "CodePatterns/Log.hpp"
44#include "CodePatterns/Verbose.hpp"
45#include "World.hpp"
46
47CommandLineDialog::MoleculesCommandLineQuery::MoleculesCommandLineQuery(Parameter<std::vector<const molecule *> > &_param, const std::string &_title, const std::string &_description) :
48 Dialog::TQuery<std::vector<const molecule *> >(_param, _title, _description)
49{}
50
51CommandLineDialog::MoleculesCommandLineQuery::~MoleculesCommandLineQuery() {}
52
53void CommandLineDialog::MoleculesCommandLineQuery::handle() {
54 std::vector<int> IdxOfMol;
55 if (CommandLineParser::getInstance().vm.count(getTitle())) {
56 try {
57 IdxOfMol = CommandLineParser::getInstance().vm[getTitle()].as< std::vector<int> >();
58 } catch(boost::bad_any_cast &e) {
59 IdxOfMol.clear();
60 return;
61 }
62 for (std::vector<int>::iterator iter = IdxOfMol.begin(); iter != IdxOfMol.end(); ++iter) {
63 const molecule *temp_element = const_cast<const World &>(World::getInstance()).
64 getMolecule(MoleculeById(*iter));
65 if (temp_element)
66 temp.push_back(temp_element);
67 }
68 handleSuccess = true; return;
69 }
70}
71
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