NanoShaper
0.7.2
NanoShaper is a tool able to triangulate and inspect an arbitray triangulated surface or several types of molecular surfaces
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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