Changeset 842aac for src/Shapes

Timestamp:

Nov 16, 2012, 11:10:27 AM (12 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:

d893672

Parents:

060c7d

git-author:

Michael Ankele <ankele@…> (10/01/12 14:05:07)

git-committer:

Frederik Heber <heber@…> (11/16/12 11:10:27)

Message:

Refactoring: FillSurfaceAction uses ShapeRegistry

Location:

src/Shapes

Files:

• ShapeFactory.cpp (modified) (3 diffs)
• ShapeFactory.hpp (modified) (2 diffs)
• unittests/ShapeFactoryUnitTest.cpp (modified) (5 diffs)

src/Shapes/ShapeFactory.cpp

@@ -55 +55 @@
   for (int i=0; i<MAX_ShapeType; i++)
     nameShapeMap.insert(std::pair<std::string, ShapeType>(shapeNames[i], (ShapeType)i));
-
-  // Init state.
-  type = SphereType;
-  translation.Zero();
-  stretch = Vector(1.,1.,1.);
-  for (int i=0; i<NDIM; i++)
-    angle[i] = 0;
 }
 
@@ -90 +83 @@
 }
 
-
-void ShapeFactory::setType(ShapeType type)
-{
-  ShapeNameMap::iterator iter = shapeNameMap.find(type);
-  ASSERT(iter != shapeNameMap.end(),
-      "ShapeFactory::setType() - unknown type: "+toString(type)+".");
-  this->type = type;
-}
-
-void ShapeFactory::setStretch(const Vector &stretch)
+Shape ShapeFactory::produce(ShapeType type, const Vector &translation, const Vector &stretch, double angleX, double angleY, double angleZ) const
 {
   for (int i=0; i<NDIM; i++){
     ASSERT(stretch[i] > 0,
-      "ShapeFactory::setStretch() - non positive component.");
+        "ShapeFactory::setStretch() - non positive component.");
   }
-  this->stretch = stretch;
-}
 
-Shape ShapeFactory::produce() const
-{
   // Create the basic shape.
   Shape s = Nowhere();
@@ -130 +110 @@
   if (stretch != Vector(1., 1., 1.))
     s = ::stretch(s, stretch);
-  for (int i=0; i<NDIM; i++)
-    if (angle[i] != 0){
-      RealSpaceMatrix rotation;
-      rotation.setRotation(angle);
-      s = transform(s, rotation);
-      break;
-    }
+  if ((angleX != 0) && (angleY != 0) && (angleZ != 0)){
+    RealSpaceMatrix rotation;
+    rotation.setRotation(angleX, angleY, angleZ);
+    s = transform(s, rotation);
+  }
   if (!translation.IsZero())
     s = translate(s, translation);

src/Shapes/ShapeFactory.hpp

@@ -30 +30 @@
   bool isValidShapeName(const std::string &name);
 
-
-  // setters/getters for the current state
-  const double* getAngle() const { return angle; }
-  void setAngle(double angleX, double angleY, double angleZ) { angle[0] = angleX; angle[1] = angleY; angle[2] = angleZ; }
-
-  Vector getStretch() const { return stretch; }
-  void setStretch(const Vector &stretch);
-
-  Vector getTranslation() const { return translation; }
-  void setTranslation(const Vector &translation) { this->translation = translation; }
-
-  ShapeType getType() const { return type; }
-  void setType(ShapeType type);
-
   // create a shape
-  Shape produce() const;
+  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;
 
 private:
@@ -58 +44 @@
   typedef std::map<std::string,ShapeType> NameShapeMap;
   NameShapeMap nameShapeMap;
-
-  // current state
-  ShapeType type;
-  Vector translation;
-  Vector stretch;
-  double angle[NDIM];
 };
 

src/Shapes/unittests/ShapeFactoryUnitTest.cpp

@@ -71 +71 @@
 void ShapeFactoryTest::typeTest()
 {
-  ShapeFactory::getInstance().setAngle(0., 0., 0.);
-  ShapeFactory::getInstance().setStretch(Vector(1., 1., 1.));
-  ShapeFactory::getInstance().setTranslation(Vector(0., 0., 0.));
+  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().produce(NowhereType).getType(), NowhereType );
 
-  ShapeFactory::getInstance().setType(NowhereType);
-  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().produce().getType(), NowhereType );
+  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().produce(EverywhereType).getType(), EverywhereType );
 
-  ShapeFactory::getInstance().setType(EverywhereType);
-  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().produce().getType(), EverywhereType );
+  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().produce(SphereType).getType(), SphereType );
 
-  ShapeFactory::getInstance().setType(SphereType);
-  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().produce().getType(), SphereType );
+  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().produce(CuboidType).getType(), CuboidType );
 
-  ShapeFactory::getInstance().setType(CuboidType);
-  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().produce().getType(), CuboidType );
-
-  ShapeFactory::getInstance().setType(CylinderType);
-  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().produce().getType(), CylinderType );
+  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().produce(CylinderType).getType(), CylinderType );
 }
 
 void ShapeFactoryTest::resizeTest()
 {
-  ShapeFactory::getInstance().setType(SphereType);
-  ShapeFactory::getInstance().setAngle(0., 0., 0.);
-  ShapeFactory::getInstance().setStretch(Vector(2., 2., 2.));
-  ShapeFactory::getInstance().setTranslation(Vector(0., 0., 0.));
-  Shape s = ShapeFactory::getInstance().produce();
+  Shape s = ShapeFactory::getInstance().produce(SphereType, Vector(0., 0., 0.), Vector(2., 2., 2.));
 
   CPPUNIT_ASSERT( s.isInside( Vector(1.5,0.,0.) ) );
@@ -109 +96 @@
 void ShapeFactoryTest::translateTest()
 {
-  ShapeFactory::getInstance().setType(SphereType);
-  ShapeFactory::getInstance().setAngle(0., 0., 0.);
-  ShapeFactory::getInstance().setStretch(Vector(1., 1., 1.));
-  ShapeFactory::getInstance().setTranslation(Vector(1., 0., 0.));
-  Shape s = ShapeFactory::getInstance().produce();
+  Shape s = ShapeFactory::getInstance().produce(SphereType, Vector(1., 0., 0.));
 
   CPPUNIT_ASSERT( s.isInside( Vector(1.5,0.,0.) ) );
@@ -128 +111 @@
 void ShapeFactoryTest::stretchTest()
 {
-  ShapeFactory::getInstance().setType(SphereType);
-  ShapeFactory::getInstance().setAngle(0., 0., 0.);
-  ShapeFactory::getInstance().setStretch(Vector(2., 1., 1.));
-  ShapeFactory::getInstance().setTranslation(Vector(0., 0., 0.));
-  Shape s = ShapeFactory::getInstance().produce();
+  Shape s = ShapeFactory::getInstance().produce(SphereType, Vector(0., 0., 0.), Vector(2., 1., 1.));
 
   CPPUNIT_ASSERT( s.isInside( Vector(1.5,0.,0.) ) );
@@ -144 +123 @@
 void ShapeFactoryTest::transformTest()
 {
-  ShapeFactory::getInstance().setType(SphereType);
-  ShapeFactory::getInstance().setAngle(45., 0., 0.);
-  ShapeFactory::getInstance().setStretch(Vector(1., 1., 1.));
-  ShapeFactory::getInstance().setTranslation(Vector(0., 0., 0.));
-  Shape s = ShapeFactory::getInstance().produce();
+  Shape s = ShapeFactory::getInstance().produce(SphereType, Vector(0., 0., 0.), Vector(1., 1., 1.), 45., 0., 0.);
 
   CPPUNIT_ASSERT( s.isInside( Vector(.5,0.,0.) ) );
@@ -160 +135 @@
 void ShapeFactoryTest::getterSetterTest()
 {
-  ShapeFactory::getInstance().setType(SphereType);
-  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().getType(), SphereType );
-  ShapeFactory::getInstance().setType(CuboidType);
-  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().getType(), CuboidType );
 #ifndef NDEBUG
-  CPPUNIT_ASSERT_THROW( ShapeFactory::getInstance().setType((ShapeType)-1), Assert::AssertionFailure );
+  CPPUNIT_ASSERT_THROW( ShapeFactory::getInstance().produce((ShapeType)-1), Assert::AssertionFailure );
 #endif
 
 
-  ShapeFactory::getInstance().setAngle(45., 60., 90.);
-  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().getAngle()[0], 45. );
-  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().getAngle()[1], 60. );
-  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().getAngle()[2], 90. );
-
-
-  ShapeFactory::getInstance().setStretch(Vector(2., 3., 4.));
-  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().getStretch(), Vector(2., 3., 4.) );
 #ifndef NDEBUG
-  CPPUNIT_ASSERT_THROW( ShapeFactory::getInstance().setStretch(Vector(0., 0., 0.)), Assert::AssertionFailure );
+  CPPUNIT_ASSERT_THROW( ShapeFactory::getInstance().produce(SphereType, Vector(0., 0., 0.), Vector(0., 0., 0.)), Assert::AssertionFailure );
 #endif
 #ifndef NDEBUG
-  CPPUNIT_ASSERT_THROW( ShapeFactory::getInstance().setStretch(Vector(1., 1., 0.)), Assert::AssertionFailure );
+  CPPUNIT_ASSERT_THROW( ShapeFactory::getInstance().produce(SphereType, Vector(0., 0., 0.), Vector(1., 1., 0.)), Assert::AssertionFailure );
 #endif
-
-  ShapeFactory::getInstance().setTranslation(Vector(1., 2., 3.));
-  CPPUNIT_ASSERT_EQUAL( ShapeFactory::getInstance().getTranslation(), Vector(1., 2., 3.) );
 }