Changeset 543ce4 for molecuilder/src/bondgraph.hpp

Timestamp:

Nov 4, 2009, 7:56:04 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

4ef101, aa8542

Parents:

ec70ec

Message:

Huge change from ofstream * (const) out --> Log().

• first shift was done via regular expressions
• then via error messages from the code
• note that class atom, class element and class molecule kept in parts their output stream, was they print to file.
• make check runs fine
• MISSING: Verbosity is not fixed for everything (i.e. if no endl; is present and next has Verbose(0) ...)

Signed-off-by: Frederik Heber <heber@…>

File:

• molecuilder/src/bondgraph.hpp (modified) (1 diff)

molecuilder/src/bondgraph.hpp

@@ -35 +35 @@
   BondGraph(bool IsA);
   ~BondGraph();
-  bool LoadBondLengthTable(ofstream * const out, const string &filename);
-  bool ConstructBondGraph(ofstream * const out, molecule * const mol);
+  bool LoadBondLengthTable(const string &filename);
+  bool ConstructBondGraph(molecule * const mol);
   double GetBondLength(int firstelement, int secondelement);
-  double SetMaxDistanceToMaxOfCovalentRadii(ofstream * const out, const molecule * const mol);
+  double SetMaxDistanceToMaxOfCovalentRadii(const molecule * const mol);
 
   void BondLengthMatrixMinMaxDistance(BondedParticle * const Walker, BondedParticle * const OtherWalker, double &MinDistance, double &MaxDistance, bool IsAngstroem);