source: src/UIElements/CommandLineUI/Query/VectorsCommandLineQuery.cpp@ 955b91

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 955b91 was 955b91, checked in by Frederik Heber <heber@…>, 13 years ago

FIX: Removed using namespace std in Vector.hpp.

  • this caused some follow-up problems in other LinearAlgebra modules,
mostly stuff from iostream not having std
prefix then.
this also caused more of them in MoleCuilder modules, mostly due to string,
stringstream, and numeric_limits with std
prefix.
  • Property mode set to 100644
File size: 1.6 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 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * VectorsCommandLineQuery.cpp
10 *
11 * Created on: Oct 25, 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 <vector>
23
24#include "Actions/Values.hpp"
25#include "CommandLineUI/Query/CommandLineQuery.hpp"
26#include "CommandLineUI/CommandLineParser.hpp"
27#include "CodePatterns/Log.hpp"
28#include "CodePatterns/Verbose.hpp"
29#include "World.hpp"
30
31CommandLineDialog::VectorsCommandLineQuery::VectorsCommandLineQuery(std::string title, bool _check, std::string _description) :
32 Dialog::VectorsQuery(title,_check, _description)
33{}
34
35CommandLineDialog::VectorsCommandLineQuery::~VectorsCommandLineQuery()
36{}
37
38bool CommandLineDialog::VectorsCommandLineQuery::handle() {
39 std::vector<VectorValue> temporary;
40 if (CommandLineParser::getInstance().vm.count(getTitle())) {
41 temporary = CommandLineParser::getInstance().vm[getTitle()].as< std::vector<VectorValue> >();
42 for(std::vector<VectorValue>::iterator iter = temporary.begin(); iter != temporary.end(); ++iter) {
43 temp = (*iter).toVector();
44 if ((!check) || (World::getInstance().getDomain().isValid(temp)))
45 tmp.push_back(temp);
46 else
47 ELOG(1, "Vector " << temp << " would be outside of box domain.");
48 }
49 return true;
50 } else {
51 ELOG(1, "CommandLineUI parsing error: Missing vectors for " << getTitle() << ".");
52 return false;
53 }
54}
55
Note: See TracBrowser for help on using the repository browser.