Changeset 49dcf7 for src/Actions/FragmentationAction/FitPotentialAction.cpp

Timestamp:

Jul 8, 2013, 2:22:03 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:

a504946

Parents:

baccf6

git-author:

Frederik Heber <heber@…> (06/26/13 18:32:35)

git-committer:

Frederik Heber <heber@…> (07/08/13 14:22:03)

Message:

Added catching of SerializablePotentialException in FitPotentialAction.

File:

• src/Actions/FragmentationAction/FitPotentialAction.cpp (modified) (2 diffs)

src/Actions/FragmentationAction/FitPotentialAction.cpp

@@ -61 +61 @@
 #include "FunctionApproximation/writeDistanceEnergyTable.hpp"
 #include "Potentials/CompoundPotential.hpp"
+#include "Potentials/Exceptions.hpp"
 #include "Potentials/PotentialDeserializer.hpp"
 #include "Potentials/PotentialFactory.hpp"
@@ -125 +126 @@
     std::ifstream returnstream(params.potential_file.get().string().c_str());
     if (returnstream.good()) {
-      PotentialDeserializer deserialize(returnstream);
-      deserialize();
+      try {
+        PotentialDeserializer deserialize(returnstream);
+        deserialize();
+      } catch (SerializablePotentialMissingValueException &e) {
+        if (const std::string *key = boost::get_error_info<SerializablePotentialKey>(e))
+          ELOG(1, "Missing value when parsing information for potential "
+              << *key << ".");
+        else
+          ELOG(1, "Missing value parsing information for potential with unknown key.");
+        return Action::failure;
+      } catch (SerializablePotentialIllegalKeyException &e) {
+        if (const std::string *key = boost::get_error_info<SerializablePotentialKey>(e))
+          ELOG(1, "Illegal key parsing information for potential "
+              << *key << ".");
+        else
+          ELOG(1, "Illegal key parsing information for potential with unknown key.");
+        return Action::failure;
+      }
     } else {
       ELOG(0, "Failed to parse from " << params.potential_file.get().string() << ".");