Changeset c48641 for src/Shapes

Timestamp:

Apr 5, 2012, 3:57:20 PM (13 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:

b98a32

Parents:

5cdd83

git-author:

Frederik Heber <heber@…> (04/03/12 14:29:31)

git-committer:

Frederik Heber <heber@…> (04/05/12 15:57:20)

Message:

FIX: ShapeOps::getHomogenous...() were not working.

• replaced for_each by transform (the latter actually replaces).
• also by using ShapeOpsBase_Impl::translateOutPos() we can implement the getHomogeneous...() functions more generally inside ShapeOpsBase_Impl instead of specifically for each Shape operation.
• added Implementation of getHomogenousPointsOnSurface unit test function.

Location:

src/Shapes

Files:

• ShapeOps.cpp (modified) (5 diffs)
• ShapeOps_impl.hpp (modified) (4 diffs)
• unittests/Makefile.am (modified) (1 diff)
• unittests/Shape_HomogeneousPointsUnitTest.cpp (modified) (4 diffs)

src/Shapes/ShapeOps.cpp

@@ -90 +90 @@
 
 std::vector<Vector> ShapeOpsBase_impl::getHomogeneousPointsOnSurface(const size_t N) const {
-  return getArg()->getHomogeneousPointsOnSurface(N);
+  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
+  std::transform(PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
+      boost::bind(&ShapeOpsBase_impl::translateOutPos, this, _1) );
+  return PointsOnSurface;
 }
 
 std::vector<Vector> ShapeOpsBase_impl::getHomogeneousPointsInVolume(const size_t N) const {
-  return getArg()->getHomogeneousPointsInVolume(N);
+  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
+  std::transform(PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
+      boost::bind(&ShapeOpsBase_impl::translateOutPos, this, _1) );
+  return PointsOnSurface;
 }
 
@@ -144 +150 @@
 }
 
-std::vector<Vector> Resize_impl::getHomogeneousPointsOnSurface(const size_t N) const {
-  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
-  std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
-                boost::bind(&Vector::operator*, _1, size) );
-  return PointsOnSurface;
-}
-
-std::vector<Vector> Resize_impl::getHomogeneousPointsInVolume(const size_t N) const {
-  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
-  std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
-                boost::bind(&Vector::operator*, _1, size) );
-        return std::vector<Vector>();
-}
-
-
 Shape resize(const Shape &arg,double size){
   Shape::impl_ptr impl = Shape::impl_ptr(new Resize_impl(getShapeImpl(arg),size));
@@ -212 +203 @@
   sstr << "translate(" << getArg()->toString() << "," << offset << ")";
   return sstr.str();
-}
-
-std::vector<Vector> Translate_impl::getHomogeneousPointsOnSurface(const size_t N) const {
-  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
-  std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
-                boost::bind(&Vector::operator+, _1, offset) );
-  return PointsOnSurface;
-}
-
-std::vector<Vector> Translate_impl::getHomogeneousPointsInVolume(const size_t N) const {
-  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
-  std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
-                boost::bind(&Vector::operator+, _1, offset) );
-  return PointsOnSurface;
 }
 
@@ -294 +271 @@
 }
 
-std::vector<Vector> Stretch_impl::getHomogeneousPointsOnSurface(const size_t N) const {
-  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
-  std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
-                boost::bind( static_cast<void (Vector::*)(const Vector&)>(&Vector::ScaleAll), _1, reciFactors) );
-  return PointsOnSurface;
-}
-
-std::vector<Vector> Stretch_impl::getHomogeneousPointsInVolume(const size_t N) const {
-  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
-  std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
-      boost::bind( static_cast<void (Vector::*)(const Vector&)>(&Vector::ScaleAll), _1, reciFactors) );
-  return PointsOnSurface;
-}
-
 Shape stretch(const Shape &arg, const Vector &factors){
   Shape::impl_ptr impl = Shape::impl_ptr(new Stretch_impl(getShapeImpl(arg),factors));
@@ -357 +320 @@
 }
 
-std::vector<Vector> Transform_impl::getHomogeneousPointsOnSurface(const size_t N) const {
-  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
-  std::transform( PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
-      boost::bind(static_cast<Vector(*)(const RealSpaceMatrix&,const Vector&)>(operator*), transformation, _1));
-  return PointsOnSurface;
-}
-
-std::vector<Vector> Transform_impl::getHomogeneousPointsInVolume(const size_t N) const {
-  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
-  std::transform( PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
-      boost::bind(static_cast<Vector(*)(const RealSpaceMatrix&,const Vector&)>(operator*), transformation, _1));
-  return PointsOnSurface;
-}
-
 Shape transform(const Shape &arg, const RealSpaceMatrix &transformation){
   Shape::impl_ptr impl = Shape::impl_ptr(new Transform_impl(getShapeImpl(arg),transformation));

src/Shapes/ShapeOps_impl.hpp

@@ -60 +60 @@
   virtual std::string toString() const;
   virtual bool isInside(const Vector& point) const;
-  virtual std::vector<Vector> getHomogeneousPointsOnSurface(const size_t N) const;
-  virtual std::vector<Vector> getHomogeneousPointsInVolume(const size_t N) const;
 private:
   double size;
@@ -81 +79 @@
   virtual std::string toString() const;
   virtual bool isInside(const Vector& point) const;
-  virtual std::vector<Vector> getHomogeneousPointsOnSurface(const size_t N) const;
-  virtual std::vector<Vector> getHomogeneousPointsInVolume(const size_t N) const;
 private:
   Vector offset;
@@ -102 +98 @@
   virtual std::string toString() const;
   virtual bool isInside(const Vector& point) const;
-  virtual std::vector<Vector> getHomogeneousPointsOnSurface(const size_t N) const;
-  virtual std::vector<Vector> getHomogeneousPointsInVolume(const size_t N) const;
 private:
   Vector factors;
@@ -122 +116 @@
   virtual std::string toString() const;
   virtual bool isInside(const Vector& point) const;
-  virtual std::vector<Vector> getHomogeneousPointsOnSurface(const size_t N) const;
-  virtual std::vector<Vector> getHomogeneousPointsInVolume(const size_t N) const;
 private:
   RealSpaceMatrix transformation;

src/Shapes/unittests/Makefile.am

@@ -50 +50 @@
 Shape_HomogeneousPointsUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
         ../Shapes/unittests/Shape_HomogeneousPointsUnitTest.cpp \
-        ../Shapes/unittests/Shape_HomogeneousPointsUnitTest.hpp
+        ../Shapes/unittests/Shape_HomogeneousPointsUnitTest.hpp \
+        ../Shapes/unittests/stubs/ApproximateShapeAreaStub.cpp \
+        ../Shapes/unittests/stubs/ApproximateShapeVolumeStub.cpp
 nodist_Shape_HomogeneousPointsUnitTest_SOURCES = \
         ../Helpers/defs.hpp \

src/Shapes/unittests/Shape_HomogeneousPointsUnitTest.cpp

@@ -24 +24 @@
 #include <cmath>
 #include <limits>
+#include <vector>
 
 #ifdef HAVE_TESTRUNNER
@@ -31 +32 @@
 #include "CodePatterns/Assert.hpp"
 
+#include "LinearAlgebra/Vector.hpp"
 #include "Shapes/BaseShapes.hpp"
 #include "Shapes/Shape.hpp"
@@ -53 +55 @@
 void Shape_HomogeneousPointsTest::surfaceTest()
 {
-        CPPUNIT_ASSERT(true);
+  {
+    Shape s = Sphere();
+    std::vector<Vector> nodes = s.getHomogeneousPointsOnSurface(12);
+    CPPUNIT_ASSERT_EQUAL( (size_t)12, nodes.size());
+    for (size_t i=0;i<12;++i)
+      CPPUNIT_ASSERT( s.isOnSurface(nodes[i]) );
+  }
+  {
+    Shape s = Sphere(zeroVec, 2.);
+    std::vector<Vector> nodes = s.getHomogeneousPointsOnSurface(12);
+    CPPUNIT_ASSERT_EQUAL( (size_t)12, nodes.size());
+    for (size_t i=0;i<12;++i)
+      CPPUNIT_ASSERT( s.isOnSurface(nodes[i]) );
+  }
 }
 
@@ -61 +76 @@
 void Shape_HomogeneousPointsTest::volumeTest()
 {
-        CPPUNIT_ASSERT(true);
+  // is not implemented
+//  Shape s = Sphere();
+//  std::vector<Vector> nodes = s.getHomogeneousPointsInVolume(12);
+//  CPPUNIT_ASSERT_EQUAL( (size_t)12, nodes.size());
+//  for (size_t i=0;i<12;++i)
+//    CPPUNIT_ASSERT( s.isInside(nodes[i]) );
 }