Changes in src/boundary.hpp [f66195:0077b5]

File:

• src/boundary.hpp (modified) (3 diffs)

src/boundary.hpp

@@ -1 +1 @@
 #ifndef BOUNDARY_HPP_
 #define BOUNDARY_HPP_
-
-using namespace std;
-
-/*********************************************** includes ***********************************/
 
 // include config.h
@@ -11 +7 @@
 #endif
 
-#include <fstream>
-#include <iostream>
-
 // STL headers
 #include <map>
 
-#include "defs.hpp"
-
-/****************************************** forward declarations *****************************/
-
-class atom;
-class BoundaryPointSet;
-class BoundaryLineSet;
-class BoundaryTriangleSet;
-class config;
-class LinkedCell;
-class molecule;
-class MoleculeListClass;
-class Tesselation;
-class Vector;
-
-/********************************************** definitions *********************************/
+#include "config.hpp"
+#include "linkedcell.hpp"
+#include "molecules.hpp"
+#include "tesselation.hpp"
 
 #define DEBUG 1
 #define DoSingleStepOutput 0
 #define SingleStepWidth 1
+#define DoTecplotOutput 1
+#define DoRaster3DOutput 1
+#define DoVRMLOutput 1
+#define TecplotSuffix ".dat"
+#define Raster3DSuffix ".r3d"
+#define VRMLSUffix ".wrl"
 
 #define DistancePair pair < double, atom* >
@@ -46 +33 @@
 #define BoundariesTestPair pair< Boundaries::iterator, bool>
 
-/********************************************** declarations *******************************/
-
 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);
+void Find_convex_border(ofstream *out, molecule* mol, class LinkedCell *LCList, const char *filename);
+void Find_non_convex_border(ofstream *out, molecule* mol, class LinkedCell *LC, const char *tempbasename, const double RADIUS);
 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);
+void Find_next_suitable_point(class BoundaryTriangleSet *BaseTriangle, class BoundaryLineSet *BaseLine, atom*& OptCandidate, Vector *OptCandidateCenter, double *ShortestAngle, const double RADIUS, LinkedCell *LC);
 Boundaries *GetBoundaryPoints(ofstream *out, molecule *mol);
+void CalculateConcavityPerBoundaryPoint(ofstream *out, class Tesselation *TesselStruct);
 void StoreTrianglesinFile(ofstream *out, molecule *mol, const char *filename, const char *extraSuffix);
-bool RemoveAllBoundaryPoints(ofstream *out, class Tesselation *TesselStruct, molecule *mol, char *filename);