Changeset 26b4d62 for src/Actions/PotentialAction

Timestamp:

Jun 27, 2014, 9:32:03 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:

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.

Location:

src/Actions/PotentialAction

Files:

• FitParticleChargesAction.cpp (modified) (1 diff)
• FitPotentialAction.cpp (modified) (4 diffs)
• ParseHomologiesAction.cpp (modified) (1 diff)
• SaveHomologiesAction.cpp (modified) (1 diff)

src/Actions/PotentialAction/FitParticleChargesAction.cpp

@@ -125 +125 @@
   // for the moment just use the very first fragment
   if (range.first == range.second) {
-    ELOG(1, "HomologyContainer does not contain specified fragment.");
+    STATUS("HomologyContainer does not contain specified fragment.");
     return Action::failure;
   }
   HomologyContainer::const_iterator iter = range.first;
   if (!iter->second.containsGrids) {
-    ELOG(2, "This HomologyGraph does not contain sampled grids.");
+    STATUS("This HomologyGraph does not contain sampled grids.");
     return Action::failure;
   }

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;
     }

src/Actions/PotentialAction/ParseHomologiesAction.cpp

@@ -81 +81 @@
   if (!params.homology_file.get().empty()) {
     const boost::filesystem::path &homology_file = params.homology_file.get();
-    if (homology_file.string() != "") {
-      LOG(1, "INFO: Parsing HomologyGraphs from file " << homology_file.string() << ".");
-      parseHomologiesFromFile(homology_file);
-      return Action::success;
-    }
+    LOG(1, "INFO: Parsing HomologyGraphs from file " << homology_file.string() << ".");
+    parseHomologiesFromFile(homology_file);
+    return Action::success;
+  } else {
+    STATUS("Homology file name is empty.");
+    return Action::failure;
   }
+}
 
+ActionState::ptr PotentialParseHomologiesAction::performUndo(ActionState::ptr _state) {
+  STATUS("Undo of PotentialParseHomologiesAction not implemented.");
   return Action::failure;
 }
 
-ActionState::ptr PotentialParseHomologiesAction::performUndo(ActionState::ptr _state) {
-  return Action::success;
-}
-
 ActionState::ptr PotentialParseHomologiesAction::performRedo(ActionState::ptr _state){
-  return Action::success;
+  STATUS("Redo of PotentialParseHomologiesAction not implemented.");
+  return Action::failure;
 }
 

src/Actions/PotentialAction/SaveHomologiesAction.cpp

@@ -83 +83 @@
   if (!params.homology_file.get().empty()) {
     const boost::filesystem::path &homology_file = params.homology_file.get();
-    if (homology_file.string() != "") {
-      LOG(1, "INFO: Appending HomologyGraphs to file " << homology_file.string() << ".");
-      if (!writeHomologiesToFile(homology_file))
-        return Action::failure;
+    LOG(1, "INFO: Appending HomologyGraphs to file " << homology_file.string() << ".");
+    if (!writeHomologiesToFile(homology_file)) {
+      STATUS("Failed to write homology file.");
+      return Action::failure;
     }
+    return Action::success;
+  } else {
+    STATUS("Homology file name empty.");
+    return Action::failure;
   }
-
-  return Action::success;
 }