Changeset a9b2a0a for molecuilder/src/boundary.hpp

Timestamp:

Oct 27, 2009, 4:11:22 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

069034

Parents:

55a71b

Message:

Huge refactoring to make const what is const (ticket #38), continued.

• too many changes because of too many cross-references to be able to list them up here.
• NOTE that "make check" runs fine and did catch several error.
• note that we had to use const_iterator several times when the map, ... was declared const.
• at times we changed an allocated LinkedCell LCList(...) into

const LinkedCell *LCList;
LCList = new LinkedCell(...);

• also mutable (see ticket #5) was used, e.g. for molecule::InternalPointer (PointCloud changes are allowed, because they are just accounting).

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

File:

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

molecuilder/src/boundary.hpp

@@ -48 +48 @@
 /********************************************** declarations *******************************/
 
+double ConvexizeNonconvexEnvelope(ofstream *out, class Tesselation *&TesselStruct, const molecule * const mol, const char * const filename);
+molecule * FillBoxWithMolecule(ofstream *out, MoleculeListClass *List, molecule *filler, config &configuration, double distance[NDIM], double RandAtomDisplacement, double RandMolDisplacement, bool DoRandomRotation);
+void FindConvexBorder(ofstream *out, const molecule* const mol, Tesselation *&TesselStruct, const LinkedCell *LCList, const char *filename);
+Vector* FindEmbeddingHole(ofstream *out, MoleculeListClass *mols, molecule *srcmol);
+void FindNextSuitablePoint(class BoundaryTriangleSet *BaseTriangle, class BoundaryLineSet *BaseLine, atom*& OptCandidate, Vector *OptCandidateCenter, double *ShortestAngle, const double RADIUS, LinkedCell *LC);
+void FindNonConvexBorder(ofstream *out, const molecule* const mol, Tesselation *&TesselStruct, const LinkedCell *&LC, const double RADIUS, const char *tempbasename);
+Boundaries *GetBoundaryPoints(ofstream *out, const molecule *mol, Tesselation *&TesselStruct);
+double * GetDiametersOfCluster(ofstream *out, const Boundaries *BoundaryPtr, const molecule *mol, Tesselation *&TesselStruct, const bool IsAngstroem);
+void PrepareClustersinWater(ofstream *out, config *configuration, molecule *mol, double ClusterVolume, double celldensity);
+bool RemoveAllBoundaryPoints(ofstream *out, class Tesselation *&TesselStruct, const molecule * const mol, const char * const filename);
+void StoreTrianglesinFile(ofstream *out, const molecule * const mol, const Tesselation *&TesselStruct, const char *filename, const char *extraSuffix);
 double VolumeOfConvexEnvelope(ofstream *out, class Tesselation *TesselStruct, class config *configuration);
-double * GetDiametersOfCluster(ofstream *out, Boundaries *BoundaryPtr, molecule *mol, bool IsAngstroem);
-void PrepareClustersinWater(ofstream *out, config *configuration, molecule *mol, double ClusterVolume, double celldensity);
-molecule * FillBoxWithMolecule(ofstream *out, MoleculeListClass *List, molecule *filler, config &configuration, double distance[NDIM], double RandAtomDisplacement, double RandMolDisplacement, bool DoRandomRotation);
-void FindConvexBorder(ofstream *out, molecule* mol, class LinkedCell *LCList, const char *filename);
-void FindNonConvexBorder(ofstream *out, molecule* mol, class LinkedCell *LC, const double RADIUS, const char *tempbasename);
-double ConvexizeNonconvexEnvelope(ofstream *out, class Tesselation *TesselStruct, molecule *mol, char *filename);
-void FindNextSuitablePoint(class BoundaryTriangleSet *BaseTriangle, class BoundaryLineSet *BaseLine, atom*& OptCandidate, Vector *OptCandidateCenter, double *ShortestAngle, const double RADIUS, LinkedCell *LC);
-Boundaries *GetBoundaryPoints(ofstream *out, molecule *mol);
-void StoreTrianglesinFile(ofstream *out, molecule *mol, const char *filename, const char *extraSuffix);
-bool RemoveAllBoundaryPoints(ofstream *out, class Tesselation *TesselStruct, molecule *mol, char *filename);
-Vector* FindEmbeddingHole(ofstream *out, MoleculeListClass *mols, molecule *srcmol);