Changeset 59f86c for molecuilder/src/boundary.hpp

Timestamp:

Oct 18, 2008, 2:03:57 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

ae21a39, d87482

Parents:

f5d7e1

Message:

VolumeOfConvexEnvelope() has new parameter with tecplot ofstream and the file is stored there and not in Tesselation::Tesselation().

+ BUGFIX: As we shift the molecule to the center of gravity for the "projection onto axis planes" method to work, we forgot about shifting it back before storing nodes and triangles in the tecplot file. Now, we store the data to file in VolumeOfConvexEnvelope(), where the molecule has been shifted back already.
+ VolumeOfConvexEnvelope() now gets an additional parameter with the tecplot ofstream, so that the name of the tecplot file may be chosen on the command line (with checks whether the argument was given or not)

File:

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

molecuilder/src/boundary.hpp

@@ -99 +99 @@
 
 
-double VolumeOfConvexEnvelope(ofstream *out, config *configuration, Boundaries *BoundaryPoints, molecule *mol);
+double VolumeOfConvexEnvelope(ofstream *out, ofstream *tecplot, config *configuration, Boundaries *BoundaryPoints, molecule *mol);
 double * GetDiametersOfCluster(ofstream *out, Boundaries *BoundaryPtr, molecule *mol, bool IsAngstroem);
 void PrepareClustersinWater(ofstream *out, config *configuration, molecule *mol, double ClusterVolume, double celldensity);