source: src/UIElements/CommandLineUI/CommandLineWindow.cpp@ d0fbec

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 d0fbec was a1e929, checked in by Frederik Heber <heber@…>, 15 years ago

Case 'p' is now handled by CommandLineUI.

  • ~XyzParser() did destroy falsely its own comment.
  • TremoloParser and XyzParser used include with Parser path.
  • ParserLoadXyzAction:
    • corrected NAME.
    • uses XyzParser and adds all new atoms to the first present molecule.
  • CommandLineWindow::display() - now states when action is launched or found absent.
  • builder.cpp: cleanup() - purges ChangeTracker
  • ParseCommandLineOptions() - sets configPresent to present without check (as parsing is done afterwards, but arguments of other cases will be thrown away in case of empty world)
  • Property mode set to 100644
File size: 5.4 KB
Line 
1/*
2 * CommandLineWindow.cpp
3 *
4 * Created on: May 8, 2010
5 * Author: heber
6 */
7
8#include "Helpers/MemDebug.hpp"
9
10#include <boost/bind.hpp>
11
12#include "CommandLineUI/CommandLineWindow.hpp"
13#include "CommandLineUI/CommandLineStatusIndicator.hpp"
14
15#include "Actions/ActionRegistry.hpp"
16#include "Actions/AnalysisAction/MolecularVolumeAction.hpp"
17#include "Actions/AnalysisAction/PairCorrelationAction.hpp"
18#include "Actions/AnalysisAction/PrincipalAxisSystemAction.hpp"
19#include "Actions/AtomAction/AddAction.hpp"
20#include "Actions/AtomAction/ChangeElementAction.hpp"
21#include "Actions/AtomAction/RemoveAction.hpp"
22#include "Actions/CmdAction/BondLengthTableAction.hpp"
23#include "Actions/CmdAction/ElementDbAction.hpp"
24#include "Actions/CmdAction/FastParsingAction.hpp"
25#include "Actions/CmdAction/HelpAction.hpp"
26#include "Actions/CmdAction/VerboseAction.hpp"
27#include "Actions/CmdAction/VersionAction.hpp"
28#include "Actions/FragmentationAction/DepthFirstSearchAction.hpp"
29#include "Actions/FragmentationAction/SubgraphDissectionAction.hpp"
30#include "Actions/FragmentationAction/FragmentationAction.hpp"
31#include "Actions/MoleculeAction/BondFileAction.hpp"
32#include "Actions/MoleculeAction/ChangeNameAction.hpp"
33#include "Actions/MoleculeAction/FillWithMoleculeAction.hpp"
34#include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp"
35#include "Actions/MoleculeAction/SaveAdjacencyAction.hpp"
36#include "Actions/MoleculeAction/SaveBondsAction.hpp"
37#include "Actions/MoleculeAction/SaveTemperatureAction.hpp"
38#include "Actions/MoleculeAction/TranslateAction.hpp"
39#include "Actions/MoleculeAction/VerletIntegrationAction.hpp"
40#include "Actions/ParserAction/LoadXyzAction.hpp"
41#include "Actions/ParserAction/SaveXyzAction.hpp"
42#include "Actions/TesselationAction/ConvexEnvelopeAction.hpp"
43#include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp"
44#include "Actions/WorldAction/AddEmptyBoundaryAction.hpp"
45#include "Actions/WorldAction/BoundInBoxAction.hpp"
46#include "Actions/WorldAction/CenterInBoxAction.hpp"
47#include "Actions/WorldAction/CenterOnEdgeAction.hpp"
48#include "Actions/WorldAction/ChangeBoxAction.hpp"
49#include "Actions/WorldAction/RemoveSphereOfAtomsAction.hpp"
50#include "Actions/WorldAction/RepeatBoxAction.hpp"
51#include "Actions/WorldAction/ScaleBoxAction.hpp"
52#include "Actions/WorldAction/SetDefaultNameAction.hpp"
53#include "Actions/WorldAction/SetGaussianBasisAction.hpp"
54#include "CommandLineParser.hpp"
55
56#include <iostream>
57
58using namespace std;
59
60// TODO: see what code can be moved to a base class for Graphic and CommandLine Windows
61CommandLineWindow::CommandLineWindow()
62{
63 // create and register all command line callable actions
64 populateAnalysisActions();
65 populateAtomActions();
66 populateCmdActions();
67 populateFragmentationActions();
68 populateMoleculeActions();
69 populateParserActions();
70 populateTesselationActions();
71 populateWorldActions();
72
73 // Add status indicators etc...
74 statusIndicator = new CommandLineStatusIndicator();
75}
76
77CommandLineWindow::~CommandLineWindow()
78{
79 delete statusIndicator;
80}
81
82void CommandLineWindow::display() {
83 // go through all possible actions
84 for (std::list<std::string>::iterator CommandRunner = CommandLineParser::getInstance().SequenceOfActions.begin(); CommandRunner != CommandLineParser::getInstance().SequenceOfActions.end(); ++CommandRunner) {
85 cout << "Checking presence of " << *CommandRunner << ": ";
86 if (ActionRegistry::getInstance().isActionByNamePresent(*CommandRunner)) {
87 cout << "calling " << *CommandRunner << endl;
88 ActionRegistry::getInstance().getActionByName(*CommandRunner)->call();
89 } else {
90 cout << "absent." << endl;
91 }
92 }
93}
94
95void CommandLineWindow::populateAnalysisActions()
96{
97 new AnalysisMolecularVolumeAction();
98 new AnalysisPairCorrelationAction();
99 new AnalysisPrincipalAxisSystemAction();
100}
101
102void CommandLineWindow::populateAtomActions()
103{
104 new AtomAddAction();
105 new AtomChangeElementAction();
106 new AtomRemoveAction();
107}
108
109void CommandLineWindow::populateCmdActions()
110{
111 new CommandLineBondLengthTableAction();
112 new CommandLineElementDbAction();
113 new CommandLineFastParsingAction();
114 new CommandLineHelpAction();
115 new CommandLineVerboseAction();
116 new CommandLineVersionAction();
117}
118
119void CommandLineWindow::populateFragmentationActions()
120{
121 new FragmentationDepthFirstSearchAction();
122 new FragmentationFragmentationAction();
123 new FragmentationSubgraphDissectionAction();
124}
125
126void CommandLineWindow::populateMoleculeActions()
127{
128 new MoleculeBondFileAction();
129 new MoleculeChangeNameAction();
130 new MoleculeFillWithMoleculeAction();
131 new MoleculeLinearInterpolationofTrajectoriesAction();
132 new MoleculeSaveAdjacencyAction();
133 new MoleculeSaveBondsAction();
134 new MoleculeSaveTemperatureAction();
135 new MoleculeTranslateAction();
136 new MoleculeVerletIntegrationAction();
137}
138
139void CommandLineWindow::populateParserActions()
140{
141 new ParserLoadXyzAction();
142 new ParserSaveXyzAction();
143}
144
145void CommandLineWindow::populateTesselationActions()
146{
147 new TesselationConvexEnvelopeAction();
148 new TesselationNonConvexEnvelopeAction();
149}
150
151void CommandLineWindow::populateWorldActions()
152{
153 new WorldAddEmptyBoundaryAction();
154 new WorldBoundInBoxAction();
155 new WorldCenterInBoxAction();
156 new WorldCenterOnEdgeAction();
157 new WorldChangeBoxAction();
158 new WorldRemoveSphereOfAtomsAction();
159 new WorldRepeatBoxAction();
160 new WorldScaleBoxAction();
161 new WorldSetDefaultNameAction();
162 new WorldSetGaussianBasisAction();
163}
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