Changeset 78bb14 for src/Parser

Timestamp:

Dec 22, 2010, 5:27:31 PM (14 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:

f28a26

Parents:

ff3c40

git-author:

Frederik Heber <heber@…> (12/17/10 15:57:59)

git-committer:

Frederik Heber <heber@…> (12/22/10 17:27:31)

Message:

BUGFIX: SetOutputFormatsAction seemed to add last format twice. Thanks Daniel!

• this was a bug in ValueStorage: while-loop checked for stream.fail(), but the stream might also fail within and nonetheless we pushed the (then unaltered from last iteration) temp value. Hence, doubly occuring last item.
• to prevent this, we test within for stream.fail() and for all others we placed ASSERT's everywhere (as internally strings are used for conversion and for a vector, we have to parse (at least) three strings).
• if std::vector<>'s are parsed, we ASSERT only that at least one value was parsed.
• FormatParserStorage now just gives a warning, when an already presen Parser is added again, but gives a not that input type is not needed to be specified as output type as well.

thanks Daniel for pointing this out!

File:

• src/Parser/FormatParserStorage.cpp (modified) (5 diffs)

src/Parser/FormatParserStorage.cpp

@@ -130 +130 @@
   }
   else
-    DoeLog(1) && (eLog() << Verbose(1) << "Parser mpqc is already present." << endl);
+    DoeLog(2) && (eLog() << Verbose(2) << "Parser mpqc is already present." << endl
+        << "Note that you don't need to add '-o mpqc' if the input file is of type mpqc." << endl);
 }
 
@@ -142 +143 @@
     ParserPresent[pcp] = true;
   } else
-    DoeLog(1) && (eLog() << Verbose(1) << "Parser pcp is already present." << endl);
+    DoeLog(2) && (eLog() << Verbose(2) << "Parser pcp is already present." << endl
+        << "Note that you don't need to add '-o pcp' if the input file is of type pcp." << endl);
 }
 
@@ -154 +156 @@
     ParserPresent[pdb] = true;
   } else
-    DoeLog(1) && (eLog() << Verbose(1) << "Parser pdb is already present." << endl);
+    DoeLog(2) && (eLog() << Verbose(2) << "Parser pdb is already present." << endl
+        << "Note that you don't need to add '-o pdb' if the input file is of type pdb." << endl);
 }
 
@@ -166 +169 @@
     ParserPresent[tremolo] = true;
   } else
-    DoeLog(1) && (eLog() << Verbose(1) << "Parser tremolo is already present." << endl);
+    DoeLog(2) && (eLog() << Verbose(2) << "Parser tremolo is already present." << endl
+        << "Note that you don't need to add '-o tremolo' if the input file is of type tremolo." << endl);
 }
 
@@ -178 +182 @@
     ParserPresent[xyz] = true;
   } else
-    DoeLog(1) && (eLog() << Verbose(1) << "Parser xyz is already present." << endl);
+    DoeLog(2) && (eLog() << Verbose(2) << "Parser xyz is already present." << endl
+        << "Note that you don't need to add '-o xyz' if the input file is of type xyz." << endl);
 }