Changeset 23958d for src/Actions/FillAction

Timestamp:

Jun 13, 2012, 5:39:13 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:

361805

Parents:

8453b3

git-author:

Frederik Heber <heber@…> (05/10/12 13:24:59)

git-committer:

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

Message:

HUGE: All .def files now contain a useful paramvalids line.

• many specific Validators have been added but have only DummyValidator funcitonality so far.
• also some more generic (i.e. templated) validators have been added.
• TESTFIXES: Some regression tests had to be changed because they either had initial faults or now fail due to stricter validators.
  • parser-tremolo-potentials-save: lacked .potentials file in testdir (thx validator!)
  • selection-.*.at: all stored to a targetfile more than once which is not allowed by FilePresentValidator.

Location:

src/Actions/FillAction

Files:

• FillRegularGridAction.def (modified) (2 diffs)
• FillSphericalSurfaceAction.def (modified) (2 diffs)

src/Actions/FillAction/FillRegularGridAction.def

@@ -12 +12 @@
 #include "types.hpp"
 
+#include "LinearAlgebra/defs.hpp"
 #include "Parameters/Validators/DummyValidator.hpp"
+#include "Parameters/Validators/STLVectorValidator.hpp"
+#include "Parameters/Validators/Specific/BoxLengthValidator.hpp"
+#include "Parameters/Validators/Specific/VectorZeroOneComponentsValidator.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in
@@ -18 +22 @@
 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (std::vector< unsigned int >)(Vector)(double)(double)(double)(double)(bool)
-#define paramvalids (DummyValidator< std::vector< unsigned int > >())(DummyValidator< Vector >())(DummyValidator< double >())(DummyValidator< double >())(DummyValidator< double >())(DummyValidator< double >())(DummyValidator< 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 paramreferences (counts)(offset)(mindistance)(SphereRadius)(RandAtomDisplacement)(RandMoleculeDisplacement)(DoRotate)
+#define paramvalids \
+(STLVectorValidator< std::vector< unsigned int > >(NDIM, NDIM)) \
+(VectorZeroOneComponentsValidator()) \
+(BoxLengthValidator()) \
+(BoxLengthValidator()) \
+(BoxLengthValidator()) \
+(BoxLengthValidator()) \
+(DummyValidator< bool >())
 
 #define statetypes (std::vector<AtomicInfo>)(std::vector<BondInfo>)(std::vector<AtomicInfo>)(std::vector<Vector>)

src/Actions/FillAction/FillSphericalSurfaceAction.def

@@ -13 +13 @@
 
 #include "Parameters/Validators/DummyValidator.hpp"
+#include "Parameters/Validators/Specific/BoxLengthValidator.hpp"
+#include "Parameters/Validators/Specific/BoxVectorValidator.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in
@@ -18 +20 @@
 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (Vector)(double)(unsigned int)(double)(Vector)
-#define paramvalids (DummyValidator< Vector >())(DummyValidator< double >())(DummyValidator< unsigned int >())(DummyValidator< double >())(DummyValidator< 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 paramreferences (center)(radius)(N)(mindistance)(AlignedAxis)
+#define paramvalids \
+(BoxVectorValidator()) \
+(BoxLengthValidator()) \
+(DummyValidator< unsigned int >()) \
+(BoxLengthValidator()) \
+(DummyValidator< Vector >())
 
 #define statetypes (std::vector<AtomicInfo>)(std::vector<BondInfo>)(std::vector<AtomicInfo>)(std::vector<Vector>)