Changeset 064178 for src/Helpers

Timestamp:

Oct 6, 2011, 9:16:19 AM (14 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:

29daad

Parents:

81c980b

git-author:

Frederik Heber <heber@…> (08/11/11 14:20:59)

git-committer:

Frederik Heber <heber@…> (10/06/11 09:16:19)

Message:

Added color database to periodentafel.

• periodentafel::LoadColorDatabase() added and added to cstor.
• element::color as unsigned char[3] added.
• element::getColor() added.
• ColorDB const string in elements_db.[ch]pp added.
• added LoadColorDatabase() to periodentafelTest::LoadStoreTest().

Location:

src/Helpers

Files:

• defs.cpp (modified) (1 diff)
• defs.hpp (modified) (1 diff)

src/Helpers/defs.cpp

@@ -59 +59 @@
 const char *STANDARDHBONDDISTANCEDB = "Hbonddistance.db";    //!< default filename of typial bond distance to hydrogen database
 const char *STANDARDHBONDANGLEDB = "Hbondangle.db";    //!< default filename of typial bond angle to hydrogen database
+const char *STANDARDCOLORDB = "color.db";    //!< default filename of typial bond angle to hydrogen database
 
 // some values

src/Helpers/defs.hpp

@@ -69 +69 @@
 extern "C" const char *STANDARDVALENCEDB;    //!< default filename of valence number per element database
 extern "C" const char *STANDARDORBITALDB;    //!< default filename of orbitals per element database
-extern "C" const char *STANDARDHBONDDISTANCEDB;    //!< default filename of typial bond distance to hydrogen database
-extern "C" const char *STANDARDHBONDANGLEDB;    //!< default filename of typial bond angle to hydrogen database
+extern "C" const char *STANDARDHBONDDISTANCEDB;    //!< default filename of typical bond distance to hydrogen database
+extern "C" const char *STANDARDHBONDANGLEDB;    //!< default filename of typical bond angle to hydrogen database
+extern "C" const char *STANDARDCOLORDB;    //!< default filename of color database
 
 // some values