Changeset 0b2ce9 for src/Actions/MoleculeAction

Timestamp:

Aug 26, 2010, 9:13:11 PM (15 years ago)

Author:

Frederik Heber <heber@…>

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, 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:

9ee38b

Parents:

9c1c89

git-author:

Frederik Heber <heber@…> (08/25/10 13:22:58)

git-committer:

Frederik Heber <heber@…> (08/26/10 21:13:11)

Message:

Implemented macros for automatically generating repetitive stuff around Actions.

The idea is that only the following items have to be provided for by the user

• parameters (i.e. for each the following tupel: type, token and reference)
• perform...(), ...Undo(), ...

Therefore, we have three new files:

• Action_impl_header.hpp: Is for the declarations in the header
• Action_impl_pre.hpp: Is before definition of functions
• Action_impl_post.hpp: is after definition of functions (cleanup)

Changes:

• MolecularVolumeAction() has already been refactored accordingly.
• new struct ActionParameters, alike to ActionState, to be specialized for each Action's parameters
• new function Action::getParametersfromValueStorage() handles retrieval of parameters from ValueStorage.

Location:

src/Actions/MoleculeAction

Files:

• 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)
• RotateAroundSelfByAngleAction.cpp (modified) (1 diff)
• RotateAroundSelfByAngleAction.hpp (modified) (1 diff)
• RotateToPrincipalAxisSystemAction.cpp (modified) (1 diff)
• RotateToPrincipalAxisSystemAction.hpp (modified) (1 diff)
• SaveAdjacencyAction.cpp (modified) (1 diff)
• SaveAdjacencyAction.hpp (modified) (1 diff)
• SaveBondsAction.cpp (modified) (1 diff)
• SaveBondsAction.hpp (modified) (1 diff)
• SaveTemperatureAction.cpp (modified) (1 diff)
• SaveTemperatureAction.hpp (modified) (1 diff)
• SuspendInWaterAction.cpp (modified) (1 diff)
• SuspendInWaterAction.hpp (modified) (1 diff)
• VerletIntegrationAction.cpp (modified) (1 diff)
• VerletIntegrationAction.hpp (modified) (1 diff)

src/Actions/MoleculeAction/BondFileAction.cpp

@@ -66 +66 @@
 };
 
+void MoleculeBondFileAction::getParametersfromValueStorage()
+{};
+
 Dialog* MoleculeBondFileAction::fillDialog(Dialog *dialog) {
   ASSERT(dialog,"No Dialog given when filling action dialog");

src/Actions/MoleculeAction/BondFileAction.hpp

@@ -30 +30 @@
   virtual Dialog * fillDialog(Dialog *dialog);
 private:
+  virtual void getParametersfromValueStorage();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);

src/Actions/MoleculeAction/ChangeNameAction.cpp

@@ -62 +62 @@
 };
 
+void MoleculeChangeNameAction::getParametersfromValueStorage()
+{};
+
 Dialog* MoleculeChangeNameAction::fillDialog(Dialog *dialog) {
   ASSERT(dialog,"No Dialog given when filling action dialog");

src/Actions/MoleculeAction/ChangeNameAction.hpp

@@ -30 +30 @@
   virtual Dialog * fillDialog(Dialog *dialog);
 private:
+  virtual void getParametersfromValueStorage();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);

src/Actions/MoleculeAction/FillWithMoleculeAction.cpp

@@ -71 +71 @@
   ActionRegistry::getInstance().getActionByName(MoleculeFillWithMoleculeAction::NAME)->call(Action::NonInteractive);
 };
+
+void MoleculeFillWithMoleculeAction::getParametersfromValueStorage()
+{};
 
 Dialog* MoleculeFillWithMoleculeAction::fillDialog(Dialog *dialog) {

src/Actions/MoleculeAction/FillWithMoleculeAction.hpp

@@ -30 +30 @@
   virtual Dialog * fillDialog(Dialog *dialog);
 private:
+  virtual void getParametersfromValueStorage();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);

src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp

@@ -71 +71 @@
 };
 
+void MoleculeLinearInterpolationofTrajectoriesAction::getParametersfromValueStorage()
+{};
+
 Dialog* MoleculeLinearInterpolationofTrajectoriesAction::fillDialog(Dialog *dialog) {
   ASSERT(dialog,"No Dialog given when filling action dialog");

src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp

@@ -30 +30 @@
   virtual Dialog * fillDialog(Dialog *dialog);
 private:
+  virtual void getParametersfromValueStorage();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);

src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp

@@ -70 +70 @@
   ActionRegistry::getInstance().getActionByName(MoleculeRotateAroundSelfByAngleAction::NAME)->call(Action::NonInteractive);
 };
+
+void MoleculeRotateAroundSelfByAngleAction::getParametersfromValueStorage()
+{};
 
 Dialog* MoleculeRotateAroundSelfByAngleAction::fillDialog(Dialog *dialog) {

src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp

@@ -30 +30 @@
   virtual Dialog * fillDialog(Dialog *dialog);
 private:
+  virtual void getParametersfromValueStorage();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);

src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp

@@ -68 +68 @@
   ActionRegistry::getInstance().getActionByName(MoleculeRotateToPrincipalAxisSystemAction::NAME)->call(Action::NonInteractive);
 };
+
+void MoleculeRotateToPrincipalAxisSystemAction::getParametersfromValueStorage()
+{};
 
 Dialog* MoleculeRotateToPrincipalAxisSystemAction::fillDialog(Dialog *dialog) {

src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp

@@ -30 +30 @@
   virtual Dialog * fillDialog(Dialog *dialog);
 private:
+  virtual void getParametersfromValueStorage();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);

src/Actions/MoleculeAction/SaveAdjacencyAction.cpp

@@ -68 +68 @@
 };
 
+void MoleculeSaveAdjacencyAction::getParametersfromValueStorage()
+{};
+
 Dialog* MoleculeSaveAdjacencyAction::fillDialog(Dialog *dialog) {
   ASSERT(dialog,"No Dialog given when filling action dialog");

src/Actions/MoleculeAction/SaveAdjacencyAction.hpp

@@ -30 +30 @@
   virtual Dialog * fillDialog(Dialog *dialog);
 private:
+  virtual void getParametersfromValueStorage();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);

src/Actions/MoleculeAction/SaveBondsAction.cpp

@@ -68 +68 @@
 };
 
+void MoleculeSaveBondsAction::getParametersfromValueStorage()
+{};
+
 Dialog* MoleculeSaveBondsAction::fillDialog(Dialog *dialog) {
   ASSERT(dialog,"No Dialog given when filling action dialog");

src/Actions/MoleculeAction/SaveBondsAction.hpp

@@ -30 +30 @@
   virtual Dialog * fillDialog(Dialog *dialog);
 private:
+  virtual void getParametersfromValueStorage();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);

src/Actions/MoleculeAction/SaveTemperatureAction.cpp

@@ -65 +65 @@
 };
 
+void MoleculeSaveTemperatureAction::getParametersfromValueStorage()
+{};
+
 Dialog* MoleculeSaveTemperatureAction::fillDialog(Dialog *dialog) {
   ASSERT(dialog,"No Dialog given when filling action dialog");

src/Actions/MoleculeAction/SaveTemperatureAction.hpp

@@ -30 +30 @@
   virtual Dialog * fillDialog(Dialog *dialog);
 private:
+  virtual void getParametersfromValueStorage();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);

src/Actions/MoleculeAction/SuspendInWaterAction.cpp

@@ -65 +65 @@
 };
 
+void MoleculeSuspendInWaterAction::getParametersfromValueStorage()
+{};
+
 Dialog* MoleculeSuspendInWaterAction::fillDialog(Dialog *dialog) {
   ASSERT(dialog,"No Dialog given when filling action dialog");

src/Actions/MoleculeAction/SuspendInWaterAction.hpp

@@ -30 +30 @@
   virtual Dialog * fillDialog(Dialog *dialog);
 private:
+  virtual void getParametersfromValueStorage();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);

src/Actions/MoleculeAction/VerletIntegrationAction.cpp

@@ -65 +65 @@
 };
 
+void MoleculeVerletIntegrationAction::getParametersfromValueStorage()
+{};
+
 Dialog* MoleculeVerletIntegrationAction::fillDialog(Dialog *dialog) {
   ASSERT(dialog,"No Dialog given when filling action dialog");

src/Actions/MoleculeAction/VerletIntegrationAction.hpp

@@ -30 +30 @@
   virtual Dialog * fillDialog(Dialog *dialog);
 private:
+  virtual void getParametersfromValueStorage();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);