Changeset 47d041 for src/Parser/PcpParser.cpp
- Timestamp:
- Nov 3, 2011, 7:44:01 PM (13 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:
- 41a467
- Parents:
- 50e4e5
- git-author:
- Frederik Heber <heber@…> (10/27/11 11:53:58)
- git-committer:
- Frederik Heber <heber@…> (11/03/11 19:44:01)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Parser/PcpParser.cpp
r50e4e5 r47d041 154 154 { 155 155 if (file->fail()) { 156 DoeLog(1) && (eLog()<< Verbose(1) << "could not access given file" << endl);156 ELOG(1, "could not access given file"); 157 157 return; 158 158 } … … 175 175 // 1. parse in options 176 176 if (!ParseForParameter(verbose,FileBuffer, "mainname", 0, 1, 1, string_type, (Paths.mainname), 1, critical)) { 177 DoeLog(1) && (eLog()<< Verbose(1) << "mainname is missing, is file empty?" << endl);177 ELOG(1, "mainname is missing, is file empty?"); 178 178 } else { 179 179 ParseForParameter(verbose,FileBuffer, "defaultpath", 0, 1, 1, string_type, (Paths.defaultpath), 1, critical); … … 389 389 void FormatParser< pcp >::save(std::ostream* file, const std::vector<atom *> &atoms) 390 390 { 391 DoLog(0) && (Log() << Verbose(0) << "Saving changes to pcp." << std::endl);391 LOG(0, "Saving changes to pcp."); 392 392 393 393 const RealSpaceMatrix &domain = World::getInstance().getDomain().getM(); … … 486 486 OutputAtoms(file, atoms, ZtoIndexMap); 487 487 } else { 488 DoeLog(1) && (eLog()<< Verbose(1) << "Cannot open output file." << endl);488 ELOG(1, "Cannot open output file."); 489 489 } 490 490 } … … 616 616 } else { 617 617 if ((Thermostats->TargetTemp != 0)) 618 DoLog(2) && (Log() << Verbose(2) << "No thermostat chosen despite finite temperature MD, falling back to None." << endl);618 LOG(2, "No thermostat chosen despite finite temperature MD, falling back to None."); 619 619 Thermostats->chooseNone(); 620 620 }
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