source: src/Tesselation/boundary.hpp@ aa55d0

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Last change on this file since aa55d0 was 2528d8, checked in by Frederik Heber <heber@…>, 11 years ago

Removed FillBoxWithMolecule(), FillVoidWithMolecule, and helper functions.

  • these are no longer needed as Actions have been removed.
  • Property mode set to 100755
File size: 2.0 KB
Line 
1#ifndef BOUNDARY_HPP_
2#define BOUNDARY_HPP_
3
4/*********************************************** includes ***********************************/
5
6// include config.h
7#ifdef HAVE_CONFIG_H
8#include <config.h>
9#endif
10
11#include <fstream>
12#include <iosfwd>
13
14// STL headers
15#include <map>
16
17#include "LinearAlgebra/defs.hpp"
18#include "BoundaryMaps.hpp"
19
20/****************************************** forward declarations *****************************/
21
22class BoundaryPointSet;
23class BoundaryLineSet;
24class BoundaryTriangleSet;
25class config;
26class LinkedCell_deprecated;
27class molecule;
28class MoleculeListClass;
29class Tesselation;
30class TesselPoint;
31class Vector;
32
33/********************************************** definitions *********************************/
34
35enum { DEBUG=1 };
36enum { DoSingleStepOutput=0 };
37enum { SingleStepWidth=10 };
38
39/********************************************** declarations *******************************/
40
41double ConvexizeNonconvexEnvelope(class Tesselation *&TesselStruct, const molecule * const mol, const char * const filename);
42void FindConvexBorder(const molecule* const mol, Boundaries *BoundaryPts, Tesselation *&TesselStruct, const LinkedCell_deprecated *LCList, const char *filename);
43Vector* FindEmbeddingHole(MoleculeListClass *mols, molecule *srcmol);
44bool FindNonConvexBorder(molecule* const mol, Tesselation *&TesselStruct, const LinkedCell_deprecated *&LC, const double RADIUS, const char *tempbasename);
45Boundaries *GetBoundaryPoints(const molecule *mol, Tesselation *&TesselStruct);
46double * GetDiametersOfCluster(const Boundaries *BoundaryPtr, const molecule *mol, Tesselation *&TesselStruct, const bool IsAngstroem);
47void PrepareClustersinWater(config *configuration, molecule *mol, double ClusterVolume, double celldensity);
48bool RemoveAllBoundaryPoints(class Tesselation *&TesselStruct, const molecule * const mol, const char * const filename);
49void StoreTrianglesinFile(const molecule * const mol, const Tesselation * const TesselStruct, const char *filename, const char *extraSuffix);
50
51
52#endif /*BOUNDARY_HPP_*/
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