Changeset 047878 for src/Actions/MoleculeAction
- Timestamp:
- Jul 29, 2010, 11:46:26 AM (15 years ago)
- Branches:
- 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, Candidate_v1.7.0, 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
- Children:
- 112f90
- Parents:
- f7ee68
- Location:
- src/Actions/MoleculeAction
- Files:
-
- 22 edited
-
BondFileAction.cpp (modified) (1 diff)
-
BondFileAction.hpp (modified) (1 diff)
-
ChangeNameAction.cpp (modified) (1 diff)
-
ChangeNameAction.hpp (modified) (1 diff)
-
FillWithMoleculeAction.cpp (modified) (1 diff)
-
FillWithMoleculeAction.hpp (modified) (1 diff)
-
LinearInterpolationofTrajectoriesAction.cpp (modified) (1 diff)
-
LinearInterpolationofTrajectoriesAction.hpp (modified) (1 diff)
-
RotateToPrincipalAxisSystemAction.cpp (modified) (1 diff)
-
RotateToPrincipalAxisSystemAction.hpp (modified) (1 diff)
-
SaveAdjacencyAction.cpp (modified) (1 diff)
-
SaveAdjacencyAction.hpp (modified) (1 diff)
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SaveBondsAction.cpp (modified) (1 diff)
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SaveBondsAction.hpp (modified) (1 diff)
-
SaveTemperatureAction.cpp (modified) (1 diff)
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SaveTemperatureAction.hpp (modified) (1 diff)
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SuspendInWaterAction.cpp (modified) (1 diff)
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SuspendInWaterAction.hpp (modified) (1 diff)
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TranslateAction.cpp (modified) (1 diff)
-
TranslateAction.hpp (modified) (1 diff)
-
VerletIntegrationAction.cpp (modified) (1 diff)
-
VerletIntegrationAction.hpp (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/MoleculeAction/BondFileAction.cpp
rf7ee68 r047878 54 54 }; 55 55 56 Dialog* MoleculeBondFileAction:: createDialog() {57 Dialog *dialog = UIFactory::getInstance().makeDialog();56 Dialog* MoleculeBondFileAction::fillDialog(Dialog *dialog) { 57 ASSERT(dialog,"No Dialog given when filling action dialog"); 58 58 59 59 dialog->queryString(NAME, MapOfActions::getInstance().getDescription(NAME)); -
src/Actions/MoleculeAction/BondFileAction.hpp
rf7ee68 r047878 27 27 28 28 virtual const std::string getName(); 29 protected: 30 virtual Dialog * fillDialog(Dialog *dialog); 29 31 private: 30 virtual Dialog * createDialog();31 32 virtual Action::state_ptr performCall(); 32 33 virtual Action::state_ptr performUndo(Action::state_ptr); -
src/Actions/MoleculeAction/ChangeNameAction.cpp
rf7ee68 r047878 50 50 }; 51 51 52 Dialog* MoleculeChangeNameAction:: createDialog() {53 Dialog *dialog = UIFactory::getInstance().makeDialog();52 Dialog* MoleculeChangeNameAction::fillDialog(Dialog *dialog) { 53 ASSERT(dialog,"No Dialog given when filling action dialog"); 54 54 55 55 dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME)); -
src/Actions/MoleculeAction/ChangeNameAction.hpp
rf7ee68 r047878 27 27 28 28 virtual const std::string getName(); 29 protected: 30 virtual Dialog * fillDialog(Dialog *dialog); 29 31 private: 30 virtual Dialog * createDialog();31 32 virtual Action::state_ptr performCall(); 32 33 virtual Action::state_ptr performUndo(Action::state_ptr); -
src/Actions/MoleculeAction/FillWithMoleculeAction.cpp
rf7ee68 r047878 60 60 }; 61 61 62 Dialog* MoleculeFillWithMoleculeAction:: createDialog() {63 Dialog *dialog = UIFactory::getInstance().makeDialog();62 Dialog* MoleculeFillWithMoleculeAction::fillDialog(Dialog *dialog) { 63 ASSERT(dialog,"No Dialog given when filling action dialog"); 64 64 65 65 dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME)); -
src/Actions/MoleculeAction/FillWithMoleculeAction.hpp
rf7ee68 r047878 28 28 29 29 virtual const std::string getName(); 30 protected: 31 virtual Dialog * fillDialog(Dialog *dialog); 30 32 private: 31 virtual Dialog * createDialog();32 33 virtual Action::state_ptr performCall(); 33 34 virtual Action::state_ptr performUndo(Action::state_ptr); -
src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp
rf7ee68 r047878 59 59 }; 60 60 61 Dialog* MoleculeLinearInterpolationofTrajectoriesAction:: createDialog() {62 Dialog *dialog = UIFactory::getInstance().makeDialog();61 Dialog* MoleculeLinearInterpolationofTrajectoriesAction::fillDialog(Dialog *dialog) { 62 ASSERT(dialog,"No Dialog given when filling action dialog"); 63 63 64 64 dialog->queryString(NAME, MapOfActions::getInstance().getDescription(NAME)); -
src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp
rf7ee68 r047878 27 27 28 28 virtual const std::string getName(); 29 protected: 30 virtual Dialog * fillDialog(Dialog *dialog); 29 31 private: 30 virtual Dialog * createDialog();31 32 virtual Action::state_ptr performCall(); 32 33 virtual Action::state_ptr performUndo(Action::state_ptr); -
src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp
rf7ee68 r047878 52 52 }; 53 53 54 Dialog* MoleculeRotateToPrincipalAxisSystemAction:: createDialog() {55 Dialog *dialog = UIFactory::getInstance().makeDialog();54 Dialog* MoleculeRotateToPrincipalAxisSystemAction::fillDialog(Dialog *dialog) { 55 ASSERT(dialog,"No Dialog given when filling action dialog"); 56 56 57 57 dialog->queryEmpty(NAME, MapOfActions::getInstance().getDescription(NAME)); -
src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp
rf7ee68 r047878 27 27 28 28 virtual const std::string getName(); 29 protected: 30 virtual Dialog * fillDialog(Dialog *dialog); 29 31 private: 30 virtual Dialog * createDialog();31 32 virtual Action::state_ptr performCall(); 32 33 virtual Action::state_ptr performUndo(Action::state_ptr); -
src/Actions/MoleculeAction/SaveAdjacencyAction.cpp
rf7ee68 r047878 56 56 }; 57 57 58 Dialog* MoleculeSaveAdjacencyAction:: createDialog() {59 Dialog *dialog = UIFactory::getInstance().makeDialog();58 Dialog* MoleculeSaveAdjacencyAction::fillDialog(Dialog *dialog) { 59 ASSERT(dialog,"No Dialog given when filling action dialog"); 60 60 61 61 dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME)); -
src/Actions/MoleculeAction/SaveAdjacencyAction.hpp
rf7ee68 r047878 27 27 28 28 virtual const std::string getName(); 29 protected: 30 virtual Dialog * fillDialog(Dialog *dialog); 29 31 private: 30 virtual Dialog * createDialog();31 32 virtual Action::state_ptr performCall(); 32 33 virtual Action::state_ptr performUndo(Action::state_ptr); -
src/Actions/MoleculeAction/SaveBondsAction.cpp
rf7ee68 r047878 56 56 }; 57 57 58 Dialog* MoleculeSaveBondsAction:: createDialog() {59 Dialog *dialog = UIFactory::getInstance().makeDialog();58 Dialog* MoleculeSaveBondsAction::fillDialog(Dialog *dialog) { 59 ASSERT(dialog,"No Dialog given when filling action dialog"); 60 60 61 61 dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME)); -
src/Actions/MoleculeAction/SaveBondsAction.hpp
rf7ee68 r047878 27 27 28 28 virtual const std::string getName(); 29 protected: 30 virtual Dialog * fillDialog(Dialog *dialog); 29 31 private: 30 virtual Dialog * createDialog();31 32 virtual Action::state_ptr performCall(); 32 33 virtual Action::state_ptr performUndo(Action::state_ptr); -
src/Actions/MoleculeAction/SaveTemperatureAction.cpp
rf7ee68 r047878 53 53 }; 54 54 55 Dialog* MoleculeSaveTemperatureAction:: createDialog() {56 Dialog *dialog = UIFactory::getInstance().makeDialog();55 Dialog* MoleculeSaveTemperatureAction::fillDialog(Dialog *dialog) { 56 ASSERT(dialog,"No Dialog given when filling action dialog"); 57 57 58 58 dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME)); -
src/Actions/MoleculeAction/SaveTemperatureAction.hpp
rf7ee68 r047878 27 27 28 28 virtual const std::string getName(); 29 protected: 30 virtual Dialog * fillDialog(Dialog *dialog); 29 31 private: 30 virtual Dialog * createDialog();31 32 virtual Action::state_ptr performCall(); 32 33 virtual Action::state_ptr performUndo(Action::state_ptr); -
src/Actions/MoleculeAction/SuspendInWaterAction.cpp
rf7ee68 r047878 53 53 }; 54 54 55 Dialog* MoleculeSuspendInWaterAction:: createDialog() {56 Dialog *dialog = UIFactory::getInstance().makeDialog();55 Dialog* MoleculeSuspendInWaterAction::fillDialog(Dialog *dialog) { 56 ASSERT(dialog,"No Dialog given when filling action dialog"); 57 57 58 58 dialog->queryDouble(NAME, ValueStorage::getInstance().getDescription(NAME)); -
src/Actions/MoleculeAction/SuspendInWaterAction.hpp
rf7ee68 r047878 27 27 28 28 virtual const std::string getName(); 29 protected: 30 virtual Dialog * fillDialog(Dialog *dialog); 29 31 private: 30 virtual Dialog * createDialog();31 32 virtual Action::state_ptr performCall(); 32 33 virtual Action::state_ptr performUndo(Action::state_ptr); -
src/Actions/MoleculeAction/TranslateAction.cpp
rf7ee68 r047878 55 55 }; 56 56 57 Dialog* MoleculeTranslateAction:: createDialog() {58 Dialog *dialog = UIFactory::getInstance().makeDialog();57 Dialog* MoleculeTranslateAction::fillDialog(Dialog *dialog) { 58 ASSERT(dialog,"No Dialog given when filling action dialog"); 59 59 60 60 dialog->queryVector(NAME, false, ValueStorage::getInstance().getDescription(NAME)); -
src/Actions/MoleculeAction/TranslateAction.hpp
rf7ee68 r047878 28 28 29 29 virtual const std::string getName(); 30 protected: 31 virtual Dialog * fillDialog(Dialog *dialog); 30 32 private: 31 virtual Dialog * createDialog();32 33 virtual Action::state_ptr performCall(); 33 34 virtual Action::state_ptr performUndo(Action::state_ptr); -
src/Actions/MoleculeAction/VerletIntegrationAction.cpp
rf7ee68 r047878 53 53 }; 54 54 55 Dialog* MoleculeVerletIntegrationAction:: createDialog() {56 Dialog *dialog = UIFactory::getInstance().makeDialog();55 Dialog* MoleculeVerletIntegrationAction::fillDialog(Dialog *dialog) { 56 ASSERT(dialog,"No Dialog given when filling action dialog"); 57 57 58 58 dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME)); -
src/Actions/MoleculeAction/VerletIntegrationAction.hpp
rf7ee68 r047878 27 27 28 28 virtual const std::string getName(); 29 protected: 30 virtual Dialog * fillDialog(Dialog *dialog); 29 31 private: 30 virtual Dialog * createDialog();31 32 virtual Action::state_ptr performCall(); 32 33 virtual Action::state_ptr performUndo(Action::state_ptr);
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