Changeset 6ba9ba for src/Actions/FillAction

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, 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:

ab2ebe

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/FillAction

Files:

• FillRegularGridAction.def (modified) (1 diff)
• FillSphericalSurfaceAction.def (modified) (1 diff)

src/Actions/FillAction/FillRegularGridAction.def

@@ -20 +20 @@
 // 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< unsigned int >)(Vector)(double)(double)(double)(double)(bool)
 #define paramtokens ("mesh-size")("mesh-offset")("min-distance")("tesselation-radius")("random-atom-displacement")("random-molecule-displacement")("DoRotate")
 #define paramdescriptions ("number of points per axis")("offset to start of partition, must be in [0,1)")("Minimum distance to other atoms")("radius of rolling sphere in tesselating selected molecule's surfaces")("magnitude of random atom displacement")("magnitude of random molecule displacement")("whether to rotate or not")
-#define paramdefaults (NODEFAULT)("0.,0.,0.")("1.")("0.")("0.")("0.")("0")
+#define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(Vector(0.,0.,0.)))(PARAM_DEFAULT(1.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(false))
 #define paramreferences (counts)(offset)(mindistance)(SphereRadius)(RandAtomDisplacement)(RandMoleculeDisplacement)(DoRotate)
 #define paramvalids \

src/Actions/FillAction/FillSphericalSurfaceAction.def

@@ -18 +18 @@
 // 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 (Vector)(double)(unsigned int)(double)(Vector)
 #define paramtokens ("center")("radius")("count")("min-distance")("Alignment-Axis")
 #define paramdescriptions ("center of the sphere")("sphere size")("number of instances to be added, changed according to geometric needs")("minimum distance between added instances")("The filler molecule is rotated relative to this alignment axis")
-#define paramdefaults ("0.,0.,0.")(NODEFAULT)("12")("1.")(NODEFAULT)
+#define paramdefaults (PARAM_DEFAULT(Vector(0.,0.,0.)))(NOPARAM_DEFAULT)(PARAM_DEFAULT(12))(PARAM_DEFAULT(1.))(NOPARAM_DEFAULT)
 #define paramreferences (center)(radius)(N)(mindistance)(AlignedAxis)
 #define paramvalids \