Changeset 26b4d62 for src/Actions/PotentialAction/FitPotentialAction.cpp

Timestamp:

Jun 27, 2014, 9:32:03 PM (12 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, Candidate_v1.7.0, Candidate_v1.7.1, 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:

c73e35

Parents:

0b6b77

git-author:

Frederik Heber <heber@…> (06/19/14 13:56:27)

git-committer:

Frederik Heber <heber@…> (06/27/14 21:32:03)

Message:

All Actions now give correct failure status via STATUS() macro.

File:

• src/Actions/PotentialAction/FitPotentialAction.cpp (modified) (4 diffs)

src/Actions/PotentialAction/FitPotentialAction.cpp

@@ -131 +131 @@
       } catch (SerializablePotentialMissingValueException &e) {
         if (const std::string *key = boost::get_error_info<SerializablePotentialKey>(e))
-          ELOG(1, "Missing value when parsing information for potential "
-              << *key << ".");
+          STATUS("Missing value when parsing information for potential "+*key+".");
         else
-          ELOG(1, "Missing value parsing information for potential with unknown key.");
+          STATUS("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 << ".");
+          STATUS("Illegal key parsing information for potential "+*key+".");
         else
-          ELOG(1, "Illegal key parsing information for potential with unknown key.");
+          STATUS("Illegal key parsing information for potential with unknown key.");
         return Action::failure;
       }
     } else {
-      ELOG(0, "Failed to parse from " << params.potential_file.get().string() << ".");
+      STATUS("Failed to parse from "+params.potential_file.get().string()+".");
       return Action::failure;
     }
@@ -156 +154 @@
   } else {
     if (params.charges.get().empty()) {
-      ELOG(1, "Neither charges nor potential file given!");
+      STATUS("Neither charges nor potential file given!");
       return Action::failure;
     } else {
@@ -220 +218 @@
         << fragmentnumbers << " is " << graph << ".");
   } else {
-    ELOG(1, "Specific fragment " << fragmentnumbers << " not found in homologies!");
+    STATUS("Specific fragment "+toString(fragmentnumbers)+" not found in homologies!");
     return Action::failure;
   }
@@ -301 +299 @@
           << l2error << " are " << model->getParameters() << ".");
     } else {
-      ELOG(0, "We require parameter derivatives for a box constraint minimization.");
+      STATUS("No required parameter derivatives for a box constraint minimization known.");
       return Action::failure;
     }