Changeset 95cfac

Timestamp:

Sep 9, 2014, 10:09:57 PM (11 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:

0fe135

Parents:

dae158

git-author:

Frederik Heber <heber@…> (09/07/14 18:21:38)

git-committer:

Frederik Heber <heber@…> (09/09/14 22:09:57)

Message:

Added FileSuffixValidator to all Actions where missing but appropriate.

• also clean up some unnecessary includes.

Location:

src/Actions

Files:

• CommandAction/BondLengthTableAction.def (modified) (2 diffs)
• CommandAction/ElementDbAction.def (modified) (1 diff)
• CommandAction/LoadSessionAction.def (modified) (2 diffs)
• CommandAction/StoreSessionAction.def (modified) (2 diffs)
• FragmentationAction/ClearFragmentationResultsAction.def (modified) (1 diff)
• MoleculeAction/ForceAnnealingAction.def (modified) (1 diff)
• MoleculeAction/VerletIntegrationAction.def (modified) (2 diffs)
• PotentialAction/FitPotentialAction.def (modified) (3 diffs)

src/Actions/CommandAction/BondLengthTableAction.def

@@ -10 +10 @@
 #include "Graph/BondGraph.hpp"
 
+#include "Parameters/Validators/Ops_Validator.hpp"
 #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
+#include "Parameters/Validators/Specific/FileSuffixValidator.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in
@@ -21 +23 @@
 #define paramreferences (BondGraphFileName)
 #define paramvalids \
-(FilePresentValidator())
+(FilePresentValidator() && (FileSuffixValidator("dat") || FileSuffixValidator("db")))
 
 #define statetypes (std::string)

src/Actions/CommandAction/ElementDbAction.def

@@ -9 +9 @@
 #include <sstream>
 
+#include "Parameters/Validators/Ops_Validator.hpp"
 #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
 

src/Actions/CommandAction/LoadSessionAction.def

@@ -9 +9 @@
 #include <boost/filesystem/path.hpp>
 
+#include "Parameters/Validators/Ops_Validator.hpp"
 #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
+#include "Parameters/Validators/Specific/FileSuffixValidator.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in
@@ -20 +22 @@
 #define paramreferences (filename)
 #define paramvalids \
-(FilePresentValidator())
+(FilePresentValidator() && FileSuffixValidator("py"))
 
 #undef statetypes

src/Actions/CommandAction/StoreSessionAction.def

@@ -11 +11 @@
 
 #include "Parameters/Validators/DummyValidator.hpp"
+#include "Parameters/Validators/Ops_Validator.hpp"
+#include "Parameters/Validators/Specific/FileSuffixValidator.hpp"
 #include "Parameters/Validators/Specific/SessionTypeValidator.hpp"
 
@@ -22 +24 @@
 #define paramreferences (filename)(sessiontype)
 #define paramvalids \
-(DummyValidator< boost::filesystem::path >()) \
+(FileSuffixValidator("py") || FileSuffixValidator("sh") || FileSuffixValidator("bat")) \
 (SessionTypeValidator())
 

src/Actions/FragmentationAction/ClearFragmentationResultsAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
-#include <boost/filesystem/path.hpp>
-#include <vector>
-
-#include "Parameters/Validators/RangeValidator.hpp"
-#include "Parameters/Validators/Ops_Validator.hpp"
-#include "Parameters/Validators/STLVectorValidator.hpp"
-#include "Parameters/Validators/Specific/ParserFileValidator.hpp"
-#include "Parameters/Validators/Specific/FilePresentValidator.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in

src/Actions/MoleculeAction/ForceAnnealingAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include <boost/filesystem/path.hpp>
+
 #include "Parameters/Validators/DummyValidator.hpp"
 #include "Parameters/Validators/GenericValidators.hpp"
 #include "Parameters/Validators/Ops_Validator.hpp"
-#include "Parameters/Validators/Specific/FilePresentValidator.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in

src/Actions/MoleculeAction/VerletIntegrationAction.def

@@ -8 +8 @@
 // all includes and forward declarations necessary for non-integral types below
 #include "LinearAlgebra/Vector.hpp"
+#include <boost/filesystem/path.hpp>
 #include <vector>
 typedef std::vector<Vector> Vectors_t;
@@ -14 +15 @@
 #include "Parameters/Validators/GenericValidators.hpp"
 #include "Parameters/Validators/Ops_Validator.hpp"
-#include "Parameters/Validators/Specific/FilePresentValidator.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in

src/Actions/PotentialAction/FitPotentialAction.def

@@ -18 +18 @@
 #include "Parameters/Validators/Specific/ElementValidator.hpp"
 #include "Parameters/Validators/Specific/EmptyStringValidator.hpp"
+#include "Parameters/Validators/Specific/FileSuffixValidator.hpp"
 #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
 #include "Parameters/Validators/Specific/PotentialTypeValidator.hpp"
@@ -26 +27 @@
 #define paramtypes (boost::filesystem::path)(std::string)(boost::filesystem::path)(std::vector<const element *>)(std::vector<const element *>)(unsigned int)(double)
 #define paramtokens ("training-file")("potential-type")("potential-file")("potential-charges")("fragment-charges")("take-best-of")("set-threshold")
-#define paramdescriptions ("optional file to write training data to")("potential type to fit")("potential file specifying multiple potentials to fit")("charges specifying the potential")("charges specifying the fragment")("take the best among this many approximations")("Require L2 error to be smaller than threshold, overrides number of attempts")
+#define paramdescriptions ("optional file to write training data to")("potential type to fit")("optional potential file specifying multiple potentials to fit")("charges specifying the potential")("charges specifying the fragment")("take the best among this many approximations")("Require L2 error to be smaller than threshold, overrides number of attempts")
 #define paramdefaults (PARAM_DEFAULT(""))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(3))(PARAM_DEFAULT(1.))
 #define paramreferences (training_file)(potentialtype)(potential_file)(charges)(fragment)(best_of_howmany)(threshold)
@@ -32 +33 @@
 (DummyValidator<boost::filesystem::path>()) \
 (EmptyStringValidator() || PotentialTypeValidator()) \
-(DummyValidator<boost::filesystem::path>()) \
+(!FilePresentValidator() || FileSuffixValidator("potentials")) \
 (STLVectorValidator< std::vector<const element *> >(0,99, ElementValidator())) \
 (STLVectorValidator< std::vector<const element *> >(1,99, ElementValidator())) \