source: src/UIElements/CommandLineUI/CommandLineWindow.cpp@ 94d131

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 94d131 was 104524, checked in by Frederik Heber <heber@…>, 15 years ago

Changed PairCorrelationAction to incorporate all three cases and handled different parameters needed for each, changed queryElement to list of elements.

PairCorrelationAction:

queryElement:

Others:

  • Property mode set to 100644
File size: 5.5 KB
Line 
1/*
2 * CommandLineWindow.cpp
3 *
4 * Created on: May 8, 2010
5 * Author: heber
6 */
7
8#include <boost/bind.hpp>
9
10#include "CommandLineUI/CommandLineWindow.hpp"
11#include "CommandLineUI/CommandLineStatusIndicator.hpp"
12
13#include "Actions/ActionRegistry.hpp"
14#include "Actions/AnalysisAction/MolecularVolumeAction.hpp"
15#include "Actions/AnalysisAction/PairCorrelationAction.hpp"
16#include "Actions/AnalysisAction/PrincipalAxisSystemAction.hpp"
17#include "Actions/AtomAction/AddAction.hpp"
18#include "Actions/AtomAction/ChangeElementAction.hpp"
19#include "Actions/AtomAction/RemoveAction.hpp"
20#include "Actions/CmdAction/BondLengthTableAction.hpp"
21#include "Actions/CmdAction/ElementDbAction.hpp"
22#include "Actions/CmdAction/FastParsingAction.hpp"
23#include "Actions/CmdAction/HelpAction.hpp"
24#include "Actions/CmdAction/VerboseAction.hpp"
25#include "Actions/CmdAction/VersionAction.hpp"
26#include "Actions/FragmentationAction/DepthFirstSearchAction.hpp"
27#include "Actions/FragmentationAction/SubgraphDissectionAction.hpp"
28#include "Actions/FragmentationAction/FragmentationAction.hpp"
29#include "Actions/MoleculeAction/BondFileAction.hpp"
30#include "Actions/MoleculeAction/ChangeNameAction.hpp"
31#include "Actions/MoleculeAction/FillWithMoleculeAction.hpp"
32#include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp"
33#include "Actions/MoleculeAction/SaveAdjacencyAction.hpp"
34#include "Actions/MoleculeAction/SaveBondsAction.hpp"
35#include "Actions/MoleculeAction/SaveTemperatureAction.hpp"
36#include "Actions/MoleculeAction/VerletIntegrationAction.hpp"
37#include "Actions/ParserAction/LoadXyzAction.hpp"
38#include "Actions/ParserAction/SaveXyzAction.hpp"
39#include "Actions/TesselationAction/ConvexEnvelopeAction.hpp"
40#include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp"
41#include "Actions/WorldAction/AddEmptyBoundaryAction.hpp"
42#include "Actions/WorldAction/BoundInBoxAction.hpp"
43#include "Actions/WorldAction/CenterInBoxAction.hpp"
44#include "Actions/WorldAction/CenterOnEdgeAction.hpp"
45#include "Actions/WorldAction/ChangeBoxAction.hpp"
46#include "Actions/WorldAction/RemoveSphereOfAtomsAction.hpp"
47#include "Actions/WorldAction/RepeatBoxAction.hpp"
48#include "Actions/WorldAction/ScaleBoxAction.hpp"
49#include "Actions/WorldAction/SetDefaultNameAction.hpp"
50#include "Actions/WorldAction/SetGaussianBasisAction.hpp"
51#include "CommandLineParser.hpp"
52
53#include <iostream>
54
55using namespace std;
56
57// TODO: see what code can be moved to a base class for Graphic and CommandLine Windows
58CommandLineWindow::CommandLineWindow()
59{
60 // create and register all command line callable actions
61 populateAnalysisActions();
62 populateAtomActions();
63 populateCmdActions();
64 populateFragmentationActions();
65 populateMoleculeActions();
66 populateParserActions();
67 populateTesselationActions();
68 populateWorldActions();
69
70 // Add status indicators etc...
71 statusIndicator = new CommandLineStatusIndicator();
72}
73
74CommandLineWindow::~CommandLineWindow()
75{
76// // go through all possible actions
77// for(std::map<const std::string,Action*>::iterator ActionRunner = ActionRegistry::getInstance().getBeginIter(); ActionRegistry::getInstance().getBeginIter() != ActionRegistry::getInstance().getEndIter(); ActionRunner = ActionRegistry::getInstance().getBeginIter()) {
78// ActionRegistry::getInstance().unregisterAction(ActionRunner->second);
79// delete(ActionRunner->second);
80// }
81
82 delete statusIndicator;
83}
84
85void CommandLineWindow::display() {
86 // go through all possible actions
87 for(std::map<const std::string,Action*>::iterator ActionRunner = ActionRegistry::getInstance().getBeginIter(); ActionRunner != ActionRegistry::getInstance().getEndIter(); ActionRunner++) {
88 // check whether action is present in command line
89 if (CommandLineParser::getInstance().vm.count(ActionRunner->first)) {
90 ActionRunner->second->call();
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 MoleculeVerletIntegrationAction();
136}
137
138void CommandLineWindow::populateParserActions()
139{
140 new ParserLoadXyzAction();
141 new ParserSaveXyzAction();
142}
143
144void CommandLineWindow::populateTesselationActions()
145{
146 new TesselationConvexEnvelopeAction();
147 new TesselationNonConvexEnvelopeAction();
148}
149
150void CommandLineWindow::populateWorldActions()
151{
152 new WorldAddEmptyBoundaryAction();
153 new WorldBoundInBoxAction();
154 new WorldCenterInBoxAction();
155 new WorldCenterOnEdgeAction();
156 new WorldChangeBoxAction();
157 new WorldRemoveSphereOfAtomsAction();
158 new WorldRepeatBoxAction();
159 new WorldScaleBoxAction();
160 new WorldSetDefaultNameAction();
161 new WorldSetGaussianBasisAction();
162}
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