source: src/UIElements/CommandLineUI/CommandLineWindow.cpp@ 257c77

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 257c77 was e6317b, checked in by Tillmann Crueger <crueger@…>, 15 years ago

Broken: Merge commit 'Gitosis/stable' into stable

Conflicts:

molecuilder/src/Actions/AnalysisAction/PairCorrelationToPointAction.cpp
molecuilder/src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp
molecuilder/src/Makefile.am

  • Property mode set to 100644
File size: 5.3 KB
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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 << endl;
86 if (ActionRegistry::getInstance().isActionByNamePresent(*CommandRunner))
87 ActionRegistry::getInstance().getActionByName(*CommandRunner)->call();
88 }
89}
90
91void CommandLineWindow::populateAnalysisActions()
92{
93 new AnalysisMolecularVolumeAction();
94 new AnalysisPairCorrelationAction();
95 new AnalysisPrincipalAxisSystemAction();
96}
97
98void CommandLineWindow::populateAtomActions()
99{
100 new AtomAddAction();
101 new AtomChangeElementAction();
102 new AtomRemoveAction();
103}
104
105void CommandLineWindow::populateCmdActions()
106{
107 new CommandLineBondLengthTableAction();
108 new CommandLineElementDbAction();
109 new CommandLineFastParsingAction();
110 new CommandLineHelpAction();
111 new CommandLineVerboseAction();
112 new CommandLineVersionAction();
113}
114
115void CommandLineWindow::populateFragmentationActions()
116{
117 new FragmentationDepthFirstSearchAction();
118 new FragmentationFragmentationAction();
119 new FragmentationSubgraphDissectionAction();
120}
121
122void CommandLineWindow::populateMoleculeActions()
123{
124 new MoleculeBondFileAction();
125 new MoleculeChangeNameAction();
126 new MoleculeFillWithMoleculeAction();
127 new MoleculeLinearInterpolationofTrajectoriesAction();
128 new MoleculeSaveAdjacencyAction();
129 new MoleculeSaveBondsAction();
130 new MoleculeSaveTemperatureAction();
131 new MoleculeTranslateAction();
132 new MoleculeVerletIntegrationAction();
133}
134
135void CommandLineWindow::populateParserActions()
136{
137 new ParserLoadXyzAction();
138 new ParserSaveXyzAction();
139}
140
141void CommandLineWindow::populateTesselationActions()
142{
143 new TesselationConvexEnvelopeAction();
144 new TesselationNonConvexEnvelopeAction();
145}
146
147void CommandLineWindow::populateWorldActions()
148{
149 new WorldAddEmptyBoundaryAction();
150 new WorldBoundInBoxAction();
151 new WorldCenterInBoxAction();
152 new WorldCenterOnEdgeAction();
153 new WorldChangeBoxAction();
154 new WorldRemoveSphereOfAtomsAction();
155 new WorldRepeatBoxAction();
156 new WorldScaleBoxAction();
157 new WorldSetDefaultNameAction();
158 new WorldSetGaussianBasisAction();
159}
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