Changes in src/Graph/BondGraph.hpp [829761:5e2f80]

File:

• src/Graph/BondGraph.hpp (modified) (5 diffs)

src/Graph/BondGraph.hpp

@@ -20 +20 @@
 #include <iosfwd>
 
-#include <boost/serialization/array.hpp>
-
 #include "AtomSet.hpp"
 #include "Bond/bond.hpp"
@@ -28 +26 @@
 #include "CodePatterns/Range.hpp"
 #include "CodePatterns/Verbose.hpp"
-#include "Element/element.hpp"
-#include "Fragmentation/MatrixContainer.hpp"
+#include "element.hpp"
 #include "linkedcell.hpp"
 #include "IPointCloud.hpp"
@@ -68 +65 @@
    */
   bool LoadBondLengthTable(std::istream &input);
-
-  /** Removes allocated bond length table.
-   *
-   */
-  void CleanupBondLengthTable();
 
   /** Determines the maximum of all element::CovalentRadius for elements present in \a &Set.
@@ -308 +300 @@
   }
 
-  /** Equality comparator for class BondGraph.
-   *
-   * @param other other instance to compare to
-   * @return true - if equal in every member variable, except static
-   *         \a BondGraph::BondThreshold.
-   */
-  bool operator==(const BondGraph &other) const;
-
-  /** Unequality comparator for class BondGraph.
-   *
-   * @param other other instance to compare to
-   * @return false - if equal in every member variable, except static
-   *         \a BondGraph::BondThreshold.
-   */
-  bool operator!=(const BondGraph &other) const {
-    return !(*this == other);
-  }
-
 private:
+  static const double BondThreshold;
 
   /** Returns the BondLengthMatrix entry for a given index pair.
@@ -408 +383 @@
   }
 
-  bool operator==(const periodentafel &other) const;
-
-  bool operator!=(const periodentafel &other) const {
-    return !(*this == other);
-  }
-
-private:
-  // default constructor for serialization
-  BondGraph();
-
-  friend class boost::serialization::access;
-  // serialization
-  template<class Archive>
-  void serialize(Archive & ar, const unsigned int version)
-  {
-    //ar & const_cast<double &>(BondThreshold);
-    ar & BondLengthMatrix;
-    ar & IsAngstroem;
-  }
-
-  //!> half width of the interval for allowed bond distances
-  static const double BondThreshold;
   //!> Matrix with bond lenth per two elements
   MatrixContainer *BondLengthMatrix;