Changeset fdfc52 for src/Potentials/SerializablePotential.cpp
- Timestamp:
- May 7, 2016, 7:03:56 AM (9 years ago)
- 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_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:
- 086e30
- Parents:
- fd5440
- git-author:
- Frederik Heber <heber@…> (02/28/16 12:57:48)
- git-committer:
- Frederik Heber <heber@…> (05/07/16 07:03:56)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Potentials/SerializablePotential.cpp
rfd5440 rfdfc52 64 64 // check stream 65 65 if (ost.bad()) 66 throw Serializ ablePotentialException();66 throw SerializerStreamException(); 67 67 68 68 /// print parameter key … … 104 104 // check stream 105 105 if (ist.bad()) 106 throw Serializ ablePotentialException();106 throw SerializerStreamException(); 107 107 108 108 // create copy of current parameters as line may contain not all required … … 117 117 if ((strBegin == std::string::npos) || (colonpos == std::string::npos) || 118 118 (linestring.substr(strBegin, colonpos-strBegin) != getToken())) 119 throw Serializ ablePotentialMissingValueException()120 << Serializ ablePotentialKey(getName());119 throw SerializerMissingValueException() 120 << SerializerKey(getName()); 121 121 122 122 // tokenize by "," … … 146 146 const size_t index = ConvertToIndex(indexstring); 147 147 if(index == 0) 148 throw Serializ ablePotentialMissingValueException() << SerializablePotentialKey(key);148 throw SerializerMissingValueException() << SerializerKey(key); 149 149 // and set the type 150 150 if (equalitypos == std::string::npos) 151 throw Serializ ablePotentialMissingValueException() << SerializablePotentialKey(key);151 throw SerializerMissingValueException() << SerializerKey(key); 152 152 setParticleType(index-1, ConvertToParticleType(value)); 153 153 } else { … … 156 156 if (index != (size_t)-1) { 157 157 if (equalitypos == std::string::npos) 158 throw Serializ ablePotentialMissingValueException() << SerializablePotentialKey(key);158 throw SerializerMissingValueException() << SerializerKey(key); 159 159 params[index] = ConvertToValue(value); 160 160 } else { 161 throw Serializ ablePotentialIllegalKeyException() << SerializablePotentialKey(key);161 throw SerializerIllegalKeyException() << SerializerKey(key); 162 162 } 163 163 }
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