Changeset cdac1d for src/Fragmentation/Exporters/SphericalPointDistribution.hpp

Timestamp:

Sep 10, 2016, 4:01:20 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

SaturateAtoms_singleDegree

Children:

19bfb5

Parents:

64cafb2

git-author:

Frederik Heber <heber@…> (05/10/16 20:04:47)

git-committer:

Frederik Heber <heber@…> (09/10/16 16:01:20)

Message:

Extended SaturateAction to be able to deal with bonded atoms.

• TESTFIX: Removed XFAIL from SaturateAction regression tests again.

File:

• src/Fragmentation/Exporters/SphericalPointDistribution.hpp (modified) (3 diffs)

src/Fragmentation/Exporters/SphericalPointDistribution.hpp

@@ -39 +39 @@
    */
   SphericalPointDistribution(const double _Bondlength = 1.) :
-    Bondlength(_Bondlength),
-    SQRT_3(sqrt(3.0))
+    Bondlength(_Bondlength)
   {}
 
@@ -52 +51 @@
    * \return Polygon_t with points on the surface centered at (0,0,0)
    */
-  template <int N> Polygon_t get()
+  template <int N> Polygon_t get() const
   {
     ASSERT(0, "SphericalPointDistribution::get() - not specialized for "+toString(N)+".");
   }
 
+  /** Initializes the polygon with the given \a _NumberOfPoints.
+   *
+   * \param _NumberOfPoints number of points
+   */
+  Polygon_t getSimplePolygon(const int _NumberOfPoints) const;
 
   /** Matches a given spherical distribution with another containing more
@@ -78 +82 @@
   const double Bondlength;
   //!> precalculated value for root of 3
-  const double SQRT_3;
+  static const double SQRT_3;
 };
 
 // declare specializations
 
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<0>();
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<1>();
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<2>();
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<3>();
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<4>();
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<5>();
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<6>();
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<7>();
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<8>();
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<9>();
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<10>();
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<11>();
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<12>();
-template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<14>();
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<0>() const;
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<1>() const;
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<2>() const;
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<3>() const;
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<4>() const;
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<5>() const;
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<6>() const;
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<7>() const;
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<8>() const;
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<9>() const;
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<10>() const;
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<11>() const;
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<12>() const;
+template <> SphericalPointDistribution::Polygon_t SphericalPointDistribution::get<14>() const;
 
 #endif /* SPHERICALPOINTDISTRIBUTION_HPP_ */