Changeset b56114

Timestamp:

Feb 4, 2015, 9:31:33 PM (10 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:

917300

Parents:

2e7afe

git-author:

Frederik Heber <heber@…> (01/23/15 19:43:55)

git-committer:

Frederik Heber <heber@…> (02/04/15 21:31:33)

Message:

FIX: Action..::outputAsPython now accesses parameters via getUnvalidated().

• added Value::getUnvalidated() and Parameter::getUnvalidated() for access at store-session.
• this fixes a bug when OutputAsAction had been used whose filename would no longer be valid as the file now exists. This would cause an assertion and the whole OutputAsAction would fail.

Location:

src

Files:

• Actions/Action_impl_pre.hpp (modified) (1 diff)
• Parameters/Parameter.hpp (modified) (1 diff)
• Parameters/Parameter_impl.hpp (modified) (1 diff)
• Parameters/Value.hpp (modified) (1 diff)
• Parameters/ValueInterface.hpp (modified) (1 diff)
• Parameters/Value_impl.hpp (modified) (1 diff)

src/Actions/Action_impl_pre.hpp

@@ -175 +175 @@
     << "\"" << toPythonString(params. \
         BOOST_PP_SEQ_ELEM(n, paramreferences) \
-        .get()) \
+        .getUnvalidated()) \
     << "\"";
 

src/Parameters/Parameter.hpp

@@ -53 +53 @@
   bool isValid(const T &_value) const throw(ParameterValidatorException);
   const T & get() const throw(ParameterValueException);
+  const T & getUnvalidated() const throw(ParameterValueException);
   void set(const T & _value) throw(ParameterValueException);
   bool isSet() const

src/Parameters/Parameter_impl.hpp

@@ -186 +186 @@
 }
 
+
+/** Catch call to value.getUnvalidated() to add exception information.
+ *
+ * @return parameter value as string
+ */
+template<typename T>
+inline const T & Parameter<T>::getUnvalidated() const throw(ParameterValueException)
+{
+  try {
+    return value.getUnvalidated();
+  } catch(ParameterException &e) {
+    e << ParameterName(ParameterInterface::getName());
+    throw;
+  }
+}
 
 /** Catch call to value.get() to add exception information.

src/Parameters/Value.hpp

@@ -77 +77 @@
   // functions for ValueInterface
   bool isValid(const T &_value) const throw(ParameterValidatorException);
+  const T & getUnvalidated() const throw(ParameterValueException);
   const T & get() const throw(ParameterValueException);
   void set(const T & _value) throw(ParameterException);

src/Parameters/ValueInterface.hpp

@@ -31 +31 @@
   virtual bool isValid(const T & _value) const throw(ParameterValidatorException)=0;
   virtual const T & get() const throw(ParameterValueException)=0;
+  virtual const T & getUnvalidated() const throw(ParameterValueException)=0;
   virtual void set(const T & _value) throw(ParameterException)=0;
   virtual bool isSet() const=0;

src/Parameters/Value_impl.hpp

@@ -120 +120 @@
 {
   if (!isValid(value)) throw ParameterValueException();
+  if (!ValueSet) throw ParameterValueException();
+  return value;
+}
+
+/** Getter of value without any validation
+ *
+ * @return value
+ */
+template <class T>
+inline const T & Value<T>::getUnvalidated() const throw(ParameterValueException)
+{
   if (!ValueSet) throw ParameterValueException();
   return value;