Changeset 6ba9ba for src/Actions/AnalysisAction

Timestamp:

Jun 13, 2012, 5:39:24 PM (13 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, 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:

2aad5a

Parents:

ab2ebe1

git-author:

Frederik Heber <heber@…> (06/05/12 14:59:10)

git-committer:

Frederik Heber <heber@…> (06/13/12 17:39:24)

Message:

Default values are properly set by the Action into their (Action)Parameters.

• we changed the boost::preprocessor magic to accomplish this.
• NODEFAULT -> NOPARAM_DEFAULT to be safe.
• it has been a hell of a lot of work to make it possible to add a construct such as ", default" to the call of a function, either the comma or the default is easy but both could only be accomplished via a list contained in the sequence of default values. Because the list has an explicit NIL element which is taken as NOPARAM_DEFAULT.
• PARAM_DEFAULT is a macro to wrap the default value into a list.

Location:

src/Actions/AnalysisAction

Files:

• CalculateBoundingBoxAction.def (modified) (1 diff)
• CalculateCellVolumeAction.def (modified) (1 diff)
• CalculateMolarMassAction.def (modified) (1 diff)
• DipoleAngularCorrelationAction.def (modified) (1 diff)
• DipoleCorrelationAction.def (modified) (1 diff)
• MolecularVolumeAction.def (modified) (1 diff)
• PairCorrelationAction.def (modified) (1 diff)
• PointCorrelationAction.def (modified) (1 diff)
• PrincipalAxisSystemAction.def (modified) (1 diff)
• SurfaceCorrelationAction.def (modified) (1 diff)

src/Actions/AnalysisAction/CalculateBoundingBoxAction.def

@@ -14 +14 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramreferences

src/Actions/AnalysisAction/CalculateCellVolumeAction.def

@@ -12 +12 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramreferences

src/Actions/AnalysisAction/CalculateMolarMassAction.def

@@ -12 +12 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramreferences

src/Actions/AnalysisAction/DipoleAngularCorrelationAction.def

@@ -19 +19 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (std::string)(double)(double)(double)(boost::filesystem::path)(boost::filesystem::path)(unsigned int)
 #define paramreferences (DipoleFormula)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(timestepzero)
 #define paramtokens ("dipole-angular-correlation")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("time-step-zero")
 #define paramdescriptions ("formula of molecules to calculate dipole of")("start of the first bin")("width of the bins")("start of the last bin")("name of the output file")("name of the bin output file")("initial time step to correlate following ones against")
-#define paramdefaults (NODEFAULT)(NODEFAULT)("0.5")(NODEFAULT)(NODEFAULT)(NODEFAULT)("0")
+#define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.5))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0))
 #define paramvalids \
 (FormulaValidator()) \

src/Actions/AnalysisAction/DipoleCorrelationAction.def

@@ -17 +17 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (double)(double)(double)(boost::filesystem::path)(boost::filesystem::path)(bool)
 #define paramreferences (BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic)
 #define paramtokens ("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic")
 #define paramdescriptions ("start of the first bin")("width of the bins")("start of the last bin")("name of the output file")("name of the bin output file")("system is constraint to periodic boundary conditions")
-#define paramdefaults (NODEFAULT)("0.5")(NODEFAULT)(NODEFAULT)(NODEFAULT)("0")
+#define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(0.5))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(false))
 #define paramvalids \
 (RotationAngleValidator()) \

src/Actions/AnalysisAction/MolecularVolumeAction.def

@@ -12 +12 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramreferences

src/Actions/AnalysisAction/PairCorrelationAction.def

@@ -22 +22 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (std::vector<const element *>)(double)(double)(double)(boost::filesystem::path)(boost::filesystem::path)(bool)
 #define paramreferences (elements)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic)
 #define paramtokens ("elements")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic")
 #define paramdescriptions ("set of elements")("start of the first bin")("width of the bins")("start of the last bin")("name of the output file")("name of the bin output file")("system is constraint to periodic boundary conditions")
-#define paramdefaults (NODEFAULT)(NODEFAULT)("0.5")(NODEFAULT)(NODEFAULT)(NODEFAULT)("0")
+#define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.5))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(false))
 #define paramvalids \
 (STLVectorValidator< std::vector<const element *> >(2,2, ElementValidator())) \

src/Actions/AnalysisAction/PointCorrelationAction.def

@@ -23 +23 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (std::vector<const element *>)(Vector)(double)(double)(double)(boost::filesystem::path)(boost::filesystem::path)(bool)
 #define paramreferences (elements)(Point)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic)
 #define paramtokens ("elements")("position")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic")
 #define paramdescriptions ("set of elements")("position in R^3 space")("start of the first bin")("width of the bins")("start of the last bin")("name of the output file")("name of the bin output file")("system is constraint to periodic boundary conditions")
-#define paramdefaults (NODEFAULT)(NODEFAULT)(NODEFAULT)("0.5")(NODEFAULT)(NODEFAULT)(NODEFAULT)("0")
+#define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.5))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(false))
 #define paramvalids \
 (STLVectorValidator< std::vector<const element *> >(ElementValidator())) \

src/Actions/AnalysisAction/PrincipalAxisSystemAction.def

@@ -14 +14 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramreferences

src/Actions/AnalysisAction/SurfaceCorrelationAction.def

@@ -21 +21 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (std::vector<const element *>)(double)(double)(double)(boost::filesystem::path)(boost::filesystem::path)(bool)
 #define paramreferences (elements)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic)
 #define paramtokens ("elements")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic")
 #define paramdescriptions ("set of elements")("start of the first bin")("width of the bins")("start of the last bin")("name of the output file")("name of the bin output file")("system is constraint to periodic boundary conditions")
-#define paramdefaults (NODEFAULT)(NODEFAULT)("0.5")(NODEFAULT)(NODEFAULT)(NODEFAULT)("0")
+#define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.5))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(false))
 #define paramvalids \
 (STLVectorValidator< std::vector<const element *> >(ElementValidator())) \