Changeset 1ae9aa for src/Fragmentation/Exporters/SphericalPointDistribution.hpp

Timestamp:

Aug 20, 2014, 1:04:08 PM (11 years ago)

Author:

Frederik Heber <heber@…>

Children:

23c605

Parents:

260540

git-author:

Frederik Heber <heber@…> (06/29/14 21:20:49)

git-committer:

Frederik Heber <heber@…> (08/20/14 13:04:08)

Message:

Extracted joinPoints() function to make it accessible to tests.

• added unit test.
• moved some function definitions around and added documentation.

File:

• src/Fragmentation/Exporters/SphericalPointDistribution.hpp (modified) (5 diffs)

src/Fragmentation/Exporters/SphericalPointDistribution.hpp

@@ -21 +21 @@
 
 #include "LinearAlgebra/Vector.hpp"
+
+class SphericalPointDistributionTest;
 
 /** contains getters for the VSEPR model for specific number of electrons.
@@ -80 +82 @@
   static Polygon_t matchSphericalPointDistributions(
       const WeightedPolygon_t &_polygon,
-      const Polygon_t &_newpolygon
+      Polygon_t &_newpolygon
       );
 
@@ -88 +90 @@
   const double SQRT_3;
 
+  //!> typedef for a full rotation specification consisting of axis and angle.
   typedef std::pair<Vector, double> Rotation_t;
 
+  //!> typedef for a list of indices (of points in a polygon)
   typedef std::list<unsigned int> IndexList_t;
+  //!> typedef enumerating possibly multiple points accumulated as one point
+  typedef std::list< IndexList_t > IndexTupleList_t;
+  //!> typedef for a vector of indices
   typedef std::vector<unsigned int> IndexArray_t;
+  //!> typedef for a Vector of positions
   typedef std::vector<Vector> VectorArray_t;
+  //!> typedef for a Vector of positions with weights
+  typedef std::vector< std::pair<Vector, int> > WeightedVectorArray_t;
 
   //!> amplitude up to which deviations in checks of rotations are tolerated
@@ -98 +108 @@
 
 private:
+  //!> grant unit tests access to private parts
+  friend class SphericalPointDistributionTest;
+
   static std::pair<double, double> calculateErrorOfMatching(
       const std::vector<Vector> &_old,
@@ -124 +137 @@
   static IndexList_t findBestMatching(
       const WeightedPolygon_t &_polygon,
-      const Polygon_t &_newpolygon
+      Polygon_t &_newpolygon
+      );
+
+  static IndexList_t joinPoints(
+      Polygon_t &_newpolygon,
+      const VectorArray_t &_newpoints,
+      const IndexTupleList_t &_bestmatching
       );