Changeset 23958d for src/Actions/AtomAction

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/AtomAction

Files:

• AddAction.def (modified) (2 diffs)
• ChangeElementAction.def (modified) (2 diffs)
• RemoveAction.def (modified) (1 diff)
• RotateAroundOriginByAngleAction.def (modified) (2 diffs)
• SaveSelectedAtomsAction.def (modified) (2 diffs)
• TranslateAction.def (modified) (1 diff)

src/Actions/AtomAction/AddAction.def

@@ -11 +11 @@
 class element;
 
-#include "Parameters/Validators/DummyValidator.hpp"
+#include "Parameters/Validators/Specific/BoxVectorValidator.hpp"
+#include "Parameters/Validators/Specific/ElementValidator.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in
@@ -18 +19 @@
 //#define paramtypes (const element *)(BoxVector) TODO: use a validator
 #define paramtypes (const element *)(Vector)
-#define paramvalids (DummyValidator< const element * >())(DummyValidator< Vector >())
 #define paramtokens ("add-atom")("domain-position")
 #define paramdescriptions ("element of new atom")("position within current domain")
 #define paramreferences (elemental)(position)
 #define paramdefaults (NODEFAULT)(NODEFAULT)
+#define paramvalids \
+(ElementValidator()) \
+(BoxVectorValidator())
 
 #define statetypes (const atomId_t)

src/Actions/AtomAction/ChangeElementAction.def

@@ -10 +10 @@
 typedef std::map<int, const element *> ElementMap;
 
-#include "Parameters/Validators/DummyValidator.hpp"
+#include "Parameters/Validators/Specific/ElementValidator.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in
@@ -16 +16 @@
 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (const element *)
-#define paramvalids (DummyValidator< const element * >())
 #define paramtokens ("change-element")
 #define paramdescriptions ("new the element of atom")
 #undef paramdefaults
 #define paramreferences (elemental)
+#define paramvalids \
+(ElementValidator())
 
 #define statetypes (ElementMap)

src/Actions/AtomAction/RemoveAction.def

@@ -19 +19 @@
 #undef paramdefaults
 #undef paramreferences
+#undef paramvalids
 
 #define statetypes (std::vector<AtomicInfo>)

src/Actions/AtomAction/RotateAroundOriginByAngleAction.def

@@ -10 +10 @@
 
 #include "Parameters/Validators/DummyValidator.hpp"
+#include "Parameters/Validators/Specific/RotationAngleValidator.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 (double)(Vector)
-#define paramvalids (DummyValidator< double >())(DummyValidator< Vector >())
 #define paramtokens ("rotate-around-origin")("position")
 #define paramdescriptions ("rotation angle")("position in R^3 space")
 #undef paramdefaults
 #define paramreferences (angle)(Axis)
+#define paramvalids \
+(RotationAngleValidator())\
+(DummyValidator< Vector> ())
 
 #define statetypes (std::vector<atom*>)

src/Actions/AtomAction/SaveSelectedAtomsAction.def

@@ -9 +9 @@
 
 
-#include "Parameters/Validators/DummyValidator.hpp"
+#include "Parameters/Validators/Ops_Validator.hpp"
+#include "Parameters/Validators/Specific/FilePresentValidator.hpp"
+#include "Parameters/Validators/Specific/ParserFileValidator.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in
@@ -15 +17 @@
 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (boost::filesystem::path)
-#define paramvalids (DummyValidator< boost::filesystem::path >())
 #define paramtokens ("save-selected-atoms")
 #define paramdescriptions ("file name of file")
 #undef paramdefaults
 #define paramreferences (filename)
+#define paramvalids \
+(!FilePresentValidator() && ParserFileValidator())
 
 #undef statetypes

src/Actions/AtomAction/TranslateAction.def

@@ -16 +16 @@
 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (Vector)(bool)
-#define paramvalids (DummyValidator< Vector >())(DummyValidator< bool >())
 #define paramtokens ("translate-atoms")("periodic")
 #define paramdescriptions ("translation vector")("system is constraint to periodic boundary conditions")
 #define paramreferences (x)(periodic)
 #define paramdefaults (NODEFAULT)("0")
+#define paramvalids \
+(DummyValidator< Vector >()) \
+(DummyValidator< bool >())
 
 #define statetypes (std::vector<atom*>)