Changeset 23958d for src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def

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.

File:

• src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified) (2 diffs)

src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def

@@ -10 +10 @@
 
 #include "Parameters/Validators/DummyValidator.hpp"
+#include "Parameters/Validators/GenericValidators.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in
@@ -15 +16 @@
 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (unsigned int)(unsigned int)(unsigned int)(bool)
-#define paramvalids (DummyValidator< unsigned int >())(DummyValidator< unsigned int >())(DummyValidator< unsigned int >())(DummyValidator< bool >())
 #define paramtokens ("start-step")("interpolation-steps")("end-step")("id-mapping")
 #define paramdescriptions ("first or start step")("number of steps to interpolate in between start and end step")("last or end step")("whether the identity shall be used in mapping atoms onto atoms or not")
 #undef paramdefaults
 #define paramreferences (start)(interpolation_steps)(end)(IdMapping)
+#define paramvalids \
+(DummyValidator< unsigned int >()) \
+(NotZeroValidator< unsigned int >()) \
+(DummyValidator< unsigned int >()) \
+(DummyValidator< bool >())
 
 #undef statetypes