Changeset e45c1d for src/Parser/Psi3Parser_Parameters.cpp

Timestamp:

Jun 13, 2012, 5:39:01 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:

7951b9

Parents:

e5d7970

git-author:

Frederik Heber <heber@…> (05/09/12 18:40:56)

git-committer:

Frederik Heber <heber@…> (06/13/12 17:39:01)

Message:

Added ParameterExceptions, is caught by Dialog::checkAll() for the moment.

• AssertExceptions are useless eventually when invalid value is set. now, we throw ParameterException's: ParameterValueException and ParameterValidatorException.
• ContinuousValue, though unused, now inherits from Value, and just implements necessary functions.
• Parameter catches Value<T>'s set, get, setAsString, getAsString functions and adds the parameter name as additional information.
• Validators may throw ParameterValidatorException, too.
• changed some of the test functions in ContinuousValueTest and DiscreteValueTest such that they always expect Parameter...Exception.
• changed MpqcParser_Parameters and Psi3_Parameters as they implement specific getAsString for bool type.

File:

• src/Parser/Psi3Parser_Parameters.cpp (modified) (3 diffs)

src/Parser/Psi3Parser_Parameters.cpp

@@ -33 +33 @@
 // TODO: Value<bool>::getAsString() must be defined inline otherwise we get multiple definition of virtual thunk compilation errors
 template <>
-inline const std::string Value<bool>::getAsString() const
-{
-  ASSERT(ValueSet,
-      "Value<bool>::getAsString() - requesting unset value.");
+inline const std::string Value<bool>::getAsString() const throw(ParameterValueException)
+{
+  if(!ValueSet)
+    throw ParameterValueException();
   if (value)
     return std::string("yes");
@@ -45 +45 @@
 // TODO: Value<bool>::setAsString must be defined inline otherwise we get multiple definition of virtual thunk compilation errors
 template <>
-inline void Value<bool>::setAsString(const std::string _value)
+inline void Value<bool>::setAsString(const std::string _value) throw(ParameterException)
 {
   if (_value == std::string("yes")) {
@@ -52 +52 @@
     set(false);
   } else {
-    ASSERT(0,
-        "void ContinuousValue<bool>::set() - value "+_value+" is neither yes or no.");
+    throw ParameterValueException();
   }
 }