Changeset 4266eb

Timestamp:

Oct 3, 2016, 5:19:53 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Fix_FitPotential_needs_atomicnumbers

Children:

96af51

Parents:

6d08032

Message:

Moved SubgraphEdge over to FunctionApproximation and derived argument_t from it.

Location:

src

Files:

• FunctionApproximation/FunctionArgument.hpp (modified) (7 diffs)
• FunctionApproximation/Subgraph/PotentialSubgraph.hpp (moved) (moved from src/Potentials/Subgraph/PotentialSubgraph.hpp )
• FunctionApproximation/Subgraph/SubgraphEdge.hpp (moved) (moved from src/Potentials/Subgraph/SubgraphEdge.hpp ) (4 diffs)
• FunctionApproximation/Subgraph/unittests/Makefile.am (added)
• FunctionApproximation/Subgraph/unittests/SubgraphEdgeUnitTest.cpp (moved) (moved from src/Potentials/Subgraph/unittests/SubgraphEdgeUnitTest.cpp ) (2 diffs)
• FunctionApproximation/Subgraph/unittests/SubgraphEdgeUnitTest.hpp (moved) (moved from src/Potentials/Subgraph/unittests/SubgraphEdgeUnitTest.hpp )
• Potentials/Subgraph/unittests/Makefile.am (deleted)
• unittests/Makefile.am (modified) (2 diffs)

src/FunctionApproximation/FunctionArgument.hpp

@@ -17 +17 @@
 #include <iosfwd>
 
+#include "FunctionApproximation/Subgraph/SubgraphEdge.hpp"
+
 /** This class encapsulates all information with respect to a single argument
  *  for a high-dimensional model function.
@@ -25 +27 @@
  *
  */
-struct argument_t
+struct argument_t : public SubgraphEdge
 {
   //!> grant operator access to private parts
   friend std::ostream& operator<<(std::ostream &ost, const argument_t &arg);
-
-  //!> typedef for the two indices of the argument
-  typedef std::pair<size_t, size_t> indices_t;
-  //!> typedef for the underlying type of the particle
-  typedef unsigned int ParticleType_t;
-  //!> typedef for the two particle types of the argument
-  typedef std::pair<ParticleType_t, ParticleType_t> types_t;
 
   /** Default constructor for class argument_t.
@@ -41 +36 @@
    */
   argument_t() :
-    indices( std::make_pair(0,1) ),
-    types( std::make_pair(0,0) ),
     distance(0.),
     globalid(-1)
@@ -54 +47 @@
    */
   argument_t(const double &_distance) :
-    indices( std::make_pair(0,1) ),
-    types( std::make_pair(0,0) ),
+    SubgraphEdge(
+      indices_t( std::make_pair(0,1) ),
+      types_t( std::make_pair(0,0) )),
     distance(_distance),
     globalid(-1)
@@ -66 +60 @@
    */
   argument_t(const indices_t &_indices, const double &_distance) :
-    indices( _indices ),
-    types( std::make_pair(0,0) ),
+    SubgraphEdge(
+      indices,
+      types_t( std::make_pair(0,0) )),
     distance(_distance),
     globalid(-1)
@@ -79 +74 @@
    */
   argument_t(const indices_t &_indices, const types_t &_types, const double &_distance) :
-    indices( _indices ),
-    types( _types ),
+    SubgraphEdge(_indices, _types),
     distance(_distance),
     globalid(-1)
@@ -106 +100 @@
    * \return true - first type is less or if equal, second type is less, else
    */
-  bool static TypeComparator(const argument_t &one, const argument_t &other)
+  bool static IndexComparator(const argument_t &one, const argument_t &other)
   {
-    if (one.types.first < other.types.first)
-      return true;
-    else if (one.types.first > other.types.first)
-      return false;
-    else
-      return one.types.second < other.types.second;
+    return (static_cast<const SubgraphEdge &>(one) < static_cast<const SubgraphEdge &>(other));
   }
 
-  /** Comparator with respect to the pair of indices.
-   *
-   * \note We'll have this as static function to allow usage in e.g. STL's sort.
-   *
-   * \param one first argument
-   * \param other other argument to compare to \a one to
-   * \return true - first index is less or if equal, second index is less, else
-   */
-  bool static IndexComparator(const argument_t &one, const argument_t &other)
-  {
-    if (one.indices.first < other.indices.first)
-      return true;
-    else if (one.indices.first > other.indices.first)
-      return false;
-    else
-      return one.indices.second < other.indices.second;
-  }
-
-  /** Less comparator for FunctionArgument.
-   *
-   * @param other other argument to compare to
-   * @return true - this argument is less than \a other, false - else
-   */
-  bool operator<(const argument_t &other) const
-  {
-    if (types.first < other.types.first)
-      return true;
-    else if (types.first > other.types.first)
-      return false;
-    else if (types.second < other.types.second)
-      return true;
-    else if (types.second > other.types.second)
-      return false;
-    else {
-      if (indices.first < other.indices.first)
-        return true;
-      else if (indices.first > other.indices.first)
-        return false;
-      else
-        return indices.second < other.indices.second;
-    }
-  }
-
-  /** Equality operator for FunctionArgument.
-   *
-   * \note This compares only types and indices.
-   *
-   * @param other other argument to compare to
-   * @return true - this argument is equal to \a other, false - else
-   */
-  bool operator==(const argument_t &other) const
-  {
-    if (types.first != other.types.first)
-      return false;
-    else if (types.second != other.types.second)
-      return false;
-    if (indices.first != other.indices.first)
-      return false;
-    else if (indices.second != other.indices.second)
-      return false;
-    else
-      return true;
-  }
-
-  //!> indices between which the distance is given
-  indices_t indices;
-  //!> indices between which the distance is given
-  types_t types;
   //!> distance
   double distance;

src/FunctionApproximation/Subgraph/SubgraphEdge.hpp

@@ -7 +7 @@
 
 
-#ifndef POTENTIALS_SUBGRAPH_SUBGRAPHEDGE_HPP_
-#define POTENTIALS_SUBGRAPH_SUBGRAPHEDGE_HPP_
+#ifndef FUNCTIONAPPROXIMATION_SUBGRAPH_SUBGRAPHEDGE_HPP_
+#define FUNCTIONAPPROXIMATION_SUBGRAPH_SUBGRAPHEDGE_HPP_
 
 // include config.h
@@ -18 +18 @@
  *
  * Each edge contains two indices and two types.
- *
- * \sa argument_t
  */
 class SubgraphEdge
@@ -116 +114 @@
   }
 
-private:
+protected:
 
   //!> indices between which the distance is given
@@ -125 +123 @@
 
 
-#endif /* POTENTIALS_SUBGRAPH_SUBGRAPHEDGE_HPP_ */
+#endif /* FUNCTIONAPPROXIMATION_SUBGRAPH_SUBGRAPHEDGE_HPP_ */

src/FunctionApproximation/Subgraph/unittests/SubgraphEdgeUnitTest.cpp

@@ -39 +39 @@
 #include <cppunit/ui/text/TestRunner.h>
 
-#include "SubgraphEdgeUnitTest.hpp"
+#include "../../../FunctionApproximation/Subgraph/unittests/SubgraphEdgeUnitTest.hpp"
 
 #include <boost/assign.hpp>
@@ -45 +45 @@
 #include "CodePatterns/Assert.hpp"
 
-#include "Potentials/Subgraph/SubgraphEdge.hpp"
+#include "../../../FunctionApproximation/Subgraph/SubgraphEdge.hpp"
 
 using namespace boost::assign;

src/unittests/Makefile.am

@@ -20 +20 @@
 include ../../src/Filling/unittests/Makefile.am
 include ../../src/FunctionApproximation/unittests/Makefile.am
+include ../../src/FunctionApproximation/Subgraph/unittests/Makefile.am
 include ../../src/Fragmentation/unittests/Makefile.am
 include ../../src/Fragmentation/Exporters/unittests/Makefile.am
@@ -37 +38 @@
 include ../../src/Potentials/unittests/Makefile.am
 include ../../src/Potentials/Specifics/unittests/Makefile.am
-include ../../src/Potentials/Subgraph/unittests/Makefile.am
 include ../../src/RandomNumbers/unittests/Makefile.am
 include ../../src/Shapes/unittests/Makefile.am