NanoShaper  0.7.2
NanoShaper is a tool able to triangulate and inspect an arbitray triangulated surface or several types of molecular surfaces
C:/Documents and Settings/sdecherchi/My Documents/Ricerca/software nostro/NanoShaper0.7/src/CoulombicSurface.h
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00001 
00002 //---------------------------------------------------------
00006 //---------------------------------------------------------
00007 
00008 #ifndef CoulombicSurface_h
00009 #define CoulombicSurface_h
00010 
00011 #include "Surface.h"
00012 #include "MeshSurface.h"
00013 
00014 #ifdef DBGMEM_CRT
00015         #define _CRTDBG_MAP_ALLOC
00016         #define _CRTDBG_MAP_ALLOC_NEW
00017 #endif
00018 
00019 #define DEFAULT_CUTOFF_COULOMBIC 12
00020 
00021 #define INSIDE (6)
00022 #define DEFAULT_ISO (6-0.1)
00023 
00029 class CoulombicSurface: public MeshSurface
00030 {
00031 private:
00033         double _cutoff;
00034         double _iso;
00035         
00036 public:
00038         CoulombicSurface();
00040         CoulombicSurface(DelPhiShared* ds);             
00042         CoulombicSurface(ConfigFile* cf,DelPhiShared* ds);      
00043 
00045 
00046         virtual bool build();
00048         virtual void printSummary();            
00050         virtual void init();
00052         virtual void init(ConfigFile* cf);
00054         virtual void clear();
00056 
00058         void setIsoValue(double b);
00059         double getIsoValue();
00060 
00061         virtual ~CoulombicSurface();
00062 };
00063 
00064 
00065 static class CoulombicSurfaceRegister{ 
00066         static Surface* createSurface(ConfigFile* conf,DelPhiShared* ds) 
00067         { 
00068                 return new CoulombicSurface(conf,ds); 
00069         } 
00070         public: 
00071                 CoulombicSurfaceRegister() 
00072                 { 
00073                         surfaceFactory().add("coulombic",createSurface); 
00074                 } 
00075 } CoulombicSurfaceRegisterObject;
00076 
00077 //static SurfaceRecorder<CoulombicSurface> coulombRecorder("coulombic");
00078 
00079 #endif