source: src/UIElements/CommandLineUI/Query/AtomCommandLineQuery.cpp@ 15d21e

Action_Thermostats Add_AtomRandomPerturbation Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChangeBugEmailaddress ChemicalSpaceEvaluator Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_oldresults ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Last change on this file since 15d21e was 9eb71b3, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Commented out MemDebug include and Memory::ignore.

  • MemDebug clashes with various allocation operators that use a specific placement in memory. It is so far not possible to wrap new/delete fully. Hence, we stop this effort which so far has forced us to put ever more includes (with clashes) into MemDebug and thereby bloat compilation time.
  • MemDebug does not add that much usefulness which is not also provided by valgrind.
  • Property mode set to 100644
File size: 2.1 KB
RevLine 
[8df74d]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
[0aa122]4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
[5aaa43]5 * Copyright (C) 2013 Frederik Heber. All rights reserved.
[94d5ac6]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/>.
[8df74d]22 */
23
24/*
25 * AtomCommandLineQuery.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
[9eb71b3]36//#include "CodePatterns/MemDebug.hpp"
[8df74d]37
38#include <iostream>
39
40#include <Descriptors/AtomDescriptor.hpp>
41#include <Descriptors/AtomIdDescriptor.hpp>
42
[87db7a]43#include "CommandLineUI/Query/CommandLineQuery.hpp"
[e4afb4]44#include "CommandLineUI/CommandLineParser.hpp"
[ad011c]45#include "CodePatterns/Log.hpp"
46#include "CodePatterns/Verbose.hpp"
[8df74d]47#include "World.hpp"
48
49using namespace std;
50
[f130d4]51CommandLineDialog::AtomCommandLineQuery::AtomCommandLineQuery(Parameter<const atom *> &_param, const std::string &_title, const std::string &_description) :
52 Dialog::TQuery<const atom*>(_param, _title, _description)
[8df74d]53{}
54
55CommandLineDialog::AtomCommandLineQuery::~AtomCommandLineQuery() {}
56
57bool CommandLineDialog::AtomCommandLineQuery::handle() {
58 int IdxOfAtom = -1;
59 if (CommandLineParser::getInstance().vm.count(getTitle())) {
[dd0c8f]60 try {
61 IdxOfAtom = CommandLineParser::getInstance().vm[getTitle()].as<int>();
62 } catch(boost::bad_any_cast &e) {
63 IdxOfAtom = -1;
64 return false;
65 }
[f01769]66 temp = const_cast<const World &>(World::getInstance()).getAtom(AtomById(IdxOfAtom));
[8df74d]67 return true;
68 }
[dd0c8f]69 return false;
[8df74d]70}
71
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