Changes in src/Graph/CheckAgainstAdjacencyFile.hpp [13a953:ec87e4]

File:

• src/Graph/CheckAgainstAdjacencyFile.hpp (modified) (2 diffs)

src/Graph/CheckAgainstAdjacencyFile.hpp

@@ -16 +16 @@
 #include <iosfwd>
 #include <map>
+#include <set>
+
+#include "types.hpp"
+#include "World.hpp"
 
 class atom;
@@ -21 +25 @@
 class CheckAgainstAdjacencyFile
 {
+  //!> Unit test is granted access to internal data
+  friend class CheckAgainstAdjacencyFileTest;
 public:
-  CheckAgainstAdjacencyFile();
+  CheckAgainstAdjacencyFile(World::AtomSet::const_iterator AtomMapBegin, World::AtomSet::const_iterator AtomMapEnd);
   ~CheckAgainstAdjacencyFile();
 
-  bool operator()(std::ifstream &File, std::map<int, atom*> ListOfAtoms);
+  bool operator()(std::istream &File);
 
 private:
-  enum {MAXBONDS=8};
-
-  int *CurrentBonds;
+  typedef std::set<atomId_t> KeysSet;
+  typedef std::set<atomId_t> ValuesSet;
+  typedef std::pair<atomId_t, atomId_t> AtomBondPair;
+  typedef std::multimap< atomId_t, atomId_t > AtomBondMap;
+  typedef std::pair<AtomBondMap::const_iterator, AtomBondMap::const_iterator> AtomBondRange;
+  AtomBondMap InternalAtomBondMap;
+  AtomBondMap ExternalAtomBondMap;
   bool status;
   int NonMatchNumber;
 
-  void CompareBonds(const atom *&Walker, size_t &CurrentBondsOfAtom, int AtomNr, std::map<int, atom*> &ListOfAtoms);
+  void CreateInternalMap(World::AtomSet::const_iterator &AtomMapBegin, World::AtomSet::const_iterator &AtomMapEnd);
+  bool ParseInExternalMap(std::istream &File);
+  bool CompareInternalExternalMap();
 };