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 c4b85d was 047878, checked in by Tillmann Crueger <crueger@…>, 15 years ago |
made all actions pass on the dialogs and add the corresponding queries
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-
Property mode
set to
100644
|
File size:
2.0 KB
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[97ebf8] | 1 | /*
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| 2 | * PrincipalAxisSystemAction.cpp
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| 3 | *
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| 4 | * Created on: May 12, 2010
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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[112b09] | 8 | #include "Helpers/MemDebug.hpp"
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| 9 |
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[97ebf8] | 10 | #include "Actions/AnalysisAction/PrincipalAxisSystemAction.hpp"
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[0430e3] | 11 | #include "Actions/ActionRegistry.hpp"
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[97ebf8] | 12 | #include "molecule.hpp"
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| 13 | #include "log.hpp"
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| 14 | #include "verbose.hpp"
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| 15 |
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| 16 | #include <iostream>
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| 17 | #include <string>
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| 18 |
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| 19 | using namespace std;
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| 20 |
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| 21 | #include "UIElements/UIFactory.hpp"
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| 22 | #include "UIElements/Dialog.hpp"
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[9d33ba] | 23 | #include "UIElements/ValueStorage.hpp"
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[97ebf8] | 24 |
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| 25 | const char AnalysisPrincipalAxisSystemAction::NAME[] = "principal-axis-system";
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| 26 |
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| 27 | AnalysisPrincipalAxisSystemAction::AnalysisPrincipalAxisSystemAction() :
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| 28 | Action(NAME)
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| 29 | {}
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| 30 |
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| 31 | AnalysisPrincipalAxisSystemAction::~AnalysisPrincipalAxisSystemAction()
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| 32 | {}
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| 33 |
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[b31cfa] | 34 | void AnalysisPrincipalAxisSystem() {
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| 35 | ActionRegistry::getInstance().getActionByName(AnalysisPrincipalAxisSystemAction::NAME)->call(Action::NonInteractive);
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| 36 | };
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| 37 |
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[047878] | 38 | Dialog* AnalysisPrincipalAxisSystemAction::fillDialog(Dialog *dialog) {
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| 39 | ASSERT(dialog,"No Dialog given when filling action dialog");
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[ca1ba5] | 40 |
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[b76394] | 41 | dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME));
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[ca1ba5] | 42 |
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| 43 | return dialog;
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| 44 | }
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| 45 |
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| 46 | Action::state_ptr AnalysisPrincipalAxisSystemAction::performCall() {
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[97ebf8] | 47 | molecule *mol = NULL;
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| 48 |
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[9d33ba] | 49 | ValueStorage::getInstance().queryCurrentValue(NAME, mol);
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[ca1ba5] | 50 | DoLog(0) && (Log() << Verbose(0) << "Evaluating prinicipal axis." << endl);
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[b76394] | 51 | for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
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| 52 | molecule *mol = iter->second;
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| 53 | mol->PrincipalAxisSystem(false);
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| 54 | }
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[ca1ba5] | 55 | return Action::success;
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[97ebf8] | 56 | }
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| 57 |
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| 58 | Action::state_ptr AnalysisPrincipalAxisSystemAction::performUndo(Action::state_ptr _state) {
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[ca1ba5] | 59 | return Action::success;
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[97ebf8] | 60 | }
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| 61 |
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| 62 | Action::state_ptr AnalysisPrincipalAxisSystemAction::performRedo(Action::state_ptr _state){
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[ca1ba5] | 63 | return Action::success;
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[97ebf8] | 64 | }
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| 65 |
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| 66 | bool AnalysisPrincipalAxisSystemAction::canUndo() {
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[ca1ba5] | 67 | return true;
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[97ebf8] | 68 | }
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| 69 |
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| 70 | bool AnalysisPrincipalAxisSystemAction::shouldUndo() {
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[ca1ba5] | 71 | return true;
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[97ebf8] | 72 | }
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| 73 |
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| 74 | const string AnalysisPrincipalAxisSystemAction::getName() {
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| 75 | return NAME;
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| 76 | }
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