Changeset 97b825 for src/config.cpp


Ignore:
Timestamp:
Aug 7, 2010, 2:44:24 PM (15 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:
458447
Parents:
5b4605
Message:

Shortened constructors [Meyers, "Effective C++" item 12]

  • also rearranged some initialization list (one per line).
File:
1 edited

Legend:

Unmodified
Added
Removed

  • src/config.cpp

    r5b4605 r97b825  
    3333/** Constructor for config file class.
    3434 */
    35 config::config() : BG(NULL), Thermostats(0), PsiType(0), MaxPsiDouble(0), PsiMaxNoUp(0), PsiMaxNoDown(0), MaxMinStopStep(1), InitMaxMinStopStep(1), ProcPEGamma(8), ProcPEPsi(1),
    36     configname(NULL), FastParsing(false), Deltat(0.01), basis(""), databasepath(NULL), DoConstrainedMD(0), MaxOuterStep(0), mainname(NULL), defaultpath(NULL), pseudopotpath(NULL),
    37     DoOutVis(0), DoOutMes(1), DoOutNICS(0), DoOutOrbitals(0), DoOutCurrent(0), DoFullCurrent(0), DoPerturbation(0), DoWannier(0), CommonWannier(0), SawtoothStart(0.01),
    38     VectorPlane(0), VectorCut(0.), UseAddGramSch(1), Seed(1), OutVisStep(10), OutSrcStep(5), MaxPsiStep(0), EpsWannier(1e-7), MaxMinStep(100), RelEpsTotalEnergy(1e-7),
    39     RelEpsKineticEnergy(1e-5), MaxMinGapStopStep(0), MaxInitMinStep(100), InitRelEpsTotalEnergy(1e-5), InitRelEpsKineticEnergy(1e-4), InitMaxMinGapStopStep(0), ECut(128.),
    40     MaxLevel(5), RiemannTensor(0), LevRFactor(0), RiemannLevel(0), Lev0Factor(2), RTActualUse(0), AddPsis(0), RCut(20.), StructOpt(0), IsAngstroem(1), RelativeCoord(0),
    41     MaxTypes(0) {
     35config::config() :
     36  BG(NULL),
     37  Thermostats(0),
     38  PsiType(0),
     39  MaxPsiDouble(0),
     40  PsiMaxNoUp(0),
     41  PsiMaxNoDown(0),
     42  MaxMinStopStep(1),
     43  InitMaxMinStopStep(1),
     44  ProcPEGamma(8),
     45  ProcPEPsi(1),
     46  configname(NULL),
     47  FastParsing(false),
     48  Deltat(0.01),
     49  basis(""),
     50  databasepath(NULL),
     51  DoConstrainedMD(0),
     52  MaxOuterStep(0),
     53  mainname(NULL),
     54  defaultpath(NULL),
     55  pseudopotpath(NULL),
     56  DoOutVis(0),
     57  DoOutMes(1),
     58  DoOutNICS(0),
     59  DoOutOrbitals(0),
     60  DoOutCurrent(0),
     61  DoFullCurrent(0),
     62  DoPerturbation(0),
     63  DoWannier(0),
     64  CommonWannier(0),
     65  SawtoothStart(0.01),
     66  VectorPlane(0),
     67  VectorCut(0.),
     68  UseAddGramSch(1),
     69  Seed(1),
     70  OutVisStep(10),
     71  OutSrcStep(5),
     72  MaxPsiStep(0),
     73  EpsWannier(1e-7),
     74  MaxMinStep(100),
     75  RelEpsTotalEnergy(1e-7),
     76  RelEpsKineticEnergy(1e-5),
     77  MaxMinGapStopStep(0),
     78  MaxInitMinStep(100),
     79  InitRelEpsTotalEnergy(1e-5),
     80  InitRelEpsKineticEnergy(1e-4),
     81  InitMaxMinGapStopStep(0),
     82  ECut(128.),
     83  MaxLevel(5),
     84  RiemannTensor(0),
     85  LevRFactor(0),
     86  RiemannLevel(0),
     87  Lev0Factor(2),
     88  RTActualUse(0),
     89  AddPsis(0),
     90  RCut(20.),
     91  StructOpt(0),
     92  IsAngstroem(1),
     93  RelativeCoord(0),
     94  MaxTypes(0)
     95{
    4296  mainname = new char[MAXSTRINGSIZE];
    4397  defaultpath = new char[MAXSTRINGSIZE];
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