Changeset 00eda9 for src

Timestamp:

Sep 19, 2013, 8:24:28 PM (11 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:

27888f

Parents:

192397

git-author:

Frederik Heber <heber@…> (08/31/13 07:22:30)

git-committer:

Frederik Heber <heber@…> (09/19/13 20:24:28)

Message:

Added ShapeFactory::isBaseShape() to discern between BaseShapes.

• this is preparatory for using faster Tesselation::getNormal() in case of complex shapes.

Location:

src/Shapes

Files:

• ShapeFactory.cpp (modified) (2 diffs)
• ShapeFactory.hpp (modified) (1 diff)

src/Shapes/ShapeFactory.cpp

@@ -66 +66 @@
   // Create baseShapeName list.
   for (ShapeNameMap::iterator iter = shapeNameMap.begin(); iter != shapeNameMap.end(); ++ iter)
-    if ((iter->second != "combined") || (iter->second != "molecule-surface"))
+    if (iter->first != CombinedType)
       baseShapeNames.push_back(iter->second);
 }
@@ -90 +90 @@
   NameShapeMap::const_iterator iter = nameShapeMap.find(name);
   return (iter != nameShapeMap.end());
+}
+
+bool ShapeFactory::isSimpleShape(const ShapeType type) const
+{
+  return ((type != CombinedType) && (type != MoleculeSurfaceType) );
+}
+
+bool ShapeFactory::isSimpleShape(const std::string &name) const
+{
+  return isSimpleShape(getShapeByName(name));
 }
 

src/Shapes/ShapeFactory.hpp

@@ -31 +31 @@
   bool isValidShapeName(const std::string &name) const;
 
+  bool isSimpleShape(const ShapeType type) const;
+  bool isSimpleShape(const std::string &name) const;
+
   // create a shape
   Shape produce(ShapeType type, const Vector &translation = Vector(0., 0., 0.), const Vector &stretch = Vector(1., 1., 1.), double angleX = 0, double angleY = 0, double angleZ = 0) const;