Changeset 2259f4 for molecuilder/src/molecules.hpp

Timestamp:

Jun 10, 2008, 11:21:32 AM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

364fc0

Parents:

ffcf49

Message:

VolumeOfConvexEnvelope() finished and tested with SiOH4, 1_2_dimethoxyethane and CSHCluster (Ratio1-1)

File:

• molecuilder/src/molecules.hpp (modified) (2 diffs)

molecuilder/src/molecules.hpp

@@ -40 +40 @@
 #define KeySet set<int>
 #define NumberValuePair pair<int, double>
-#define Graph map<KeySet, NumberValuePair, KeyCompare >
-#define GraphPair pair<KeySet, NumberValuePair >
+#define Graph map <KeySet, NumberValuePair, KeyCompare >
+#define GraphPair pair <KeySet, NumberValuePair >
 #define KeySetTestPair pair<KeySet::iterator, bool>
 #define GraphTestPair pair<Graph::iterator, bool>
 
-#define DistanceNrPair pair< double, atom* >
+#define DistanceNrPair pair < double, atom* >
+#define DistanceMap multimap < double, atom* >
+#define DistanceTestPair pair < DistanceMap::iterator, bool>
+
 #define Boundaries map <double, DistanceNrPair >
 #define BoundariesPair pair<double, DistanceNrPair >
-#define BoundariesTestPair pair<Boundaries::iterator, bool>
+#define BoundariesTestPair pair< Boundaries::iterator, bool>
+
+#define LinesMap map <int, int>
+#define LinesPair pair <int, int>
+#define LinesTestPair pair < LinesMap::iterator, bool>
+
 #define LinetoAtomMap map < int, atom * > 
 #define LinetoAtomPair pair < int, atom * > 
@@ -404 +412 @@
     char *configpath;
     char *configname;
+    bool FastParsing;
     
     private: