Changeset b2ae3b for src/periodentafel.cpp
- Timestamp:
- Jan 15, 2011, 3:32:15 PM (14 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_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:
- e5bf2b
- Parents:
- dd88cb
- git-author:
- Frederik Heber <heber@…> (01/04/11 12:14:59)
- git-committer:
- Frederik Heber <heber@…> (01/15/11 15:32:15)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/periodentafel.cpp
rdd88cb rb2ae3b 44 44 { 45 45 stringstream input(elementsDB,ios_base::in); 46 bool status = LoadElementsDatabase(input); 46 #ifndef NDEBUG 47 bool status = 48 #endif 49 LoadElementsDatabase(input); 47 50 ASSERT(status, "General element initialization failed"); 48 51 } 49 52 { 50 53 stringstream input(valenceDB,ios_base::in); 51 bool status = LoadValenceDatabase(&input); 54 #ifndef NDEBUG 55 bool status = 56 #endif 57 LoadValenceDatabase(&input); 52 58 ASSERT(status, "Valence entry of element initialization failed"); 53 59 } 54 60 { 55 61 stringstream input(orbitalsDB,ios_base::in); 56 bool status = LoadOrbitalsDatabase(&input); 62 #ifndef NDEBUG 63 bool status = 64 #endif 65 LoadOrbitalsDatabase(&input); 57 66 ASSERT(status, "Orbitals entry of element initialization failed"); 58 67 } 59 68 { 60 69 stringstream input(HbondangleDB,ios_base::in); 61 bool status = LoadHBondAngleDatabase(&input); 70 #ifndef NDEBUG 71 bool status = 72 #endif 73 LoadHBondAngleDatabase(&input); 62 74 ASSERT(status, "HBond angle entry of element initialization failed"); 63 75 } 64 76 { 65 77 stringstream input(HbonddistanceDB,ios_base::in); 66 bool status = LoadHBondLengthsDatabase(&input); 78 #ifndef NDEBUG 79 bool status = 80 #endif 81 LoadHBondLengthsDatabase(&input); 67 82 ASSERT(status, "HBond distance entry of element initialization failed"); 68 83 }
Note:
See TracChangeset
for help on using the changeset viewer.