Changeset 88b400 for src/boundary.hpp

Timestamp:

Aug 7, 2010, 1:46:16 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, Candidate_v1.7.0, 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:

5b4605

Parents:

44de80

Message:

converted #define's to enums, consts and typedefs [Meyers, "Effective C++", item 1].

basic changes:

• #define bla 1.3 -> const double bla = 1.3
• #define bla "test" -> const char * const bla = "test
• use class specific constants! (HULLEPSILON)

const int Class::bla = 1.3; (in .cpp)
static const int bla; (in .hpp inside class private section)

• "enum hack": #define bla 5 -> enum { bla = 5 };
  • if const int bla=5; impossible
  • e.g. necessary if constant is used in array declaration (int blabla[bla];)

details:

• new file defs.cpp where const double reside in and are referenced by extern "C" const double
• joiner.cpp: main() had to be changed due to concatenation of two #define possible, of two const char * not
• class specific constants: HULLEPSILON, BONDTHRESHOLD, SPHERERADIUS
• extended GetPathLengthonCircumCircle to additional parameter HULLEPSILON

File:

• src/boundary.hpp (modified) (1 diff)

src/boundary.hpp

@@ -34 +34 @@
 /********************************************** definitions *********************************/
 
-#define DEBUG 1
-#define DoSingleStepOutput 0
-#define SingleStepWidth 10
+enum { DEBUG=1 };
+enum { DoSingleStepOutput=0 };
+enum { SingleStepWidth=10 };
 
-#define DistancePair pair < double, atom* >
-#define DistanceMap multimap < double, atom* >
-#define DistanceTestPair pair < DistanceMap::iterator, bool>
+typedef std::pair < double, class atom* > DistancePair;
+typedef std::multimap < double, class atom* > DistanceMap;
+typedef std::pair < DistanceMap::iterator, bool> DistanceTestPair;
 
-#define Boundaries map <double, DistancePair >
-#define BoundariesPair pair<double, DistancePair >
-#define BoundariesTestPair pair< Boundaries::iterator, bool>
+typedef std::map <double, DistancePair > Boundaries;
+typedef std::pair<double, DistancePair > BoundariesPair;
+typedef std::pair< Boundaries::iterator, bool> BoundariesTestPair;
 
 /********************************************** declarations *******************************/