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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ConnollySurface.h is the header for CLASS ConnollySurface.cpp. More...
Go to the source code of this file.
Classes | |
class | ConnollyCell |
class | FacetCell |
class | EdgeCell |
class | PointCell |
class | ConnollySurface |
This class builds and converts to a DelPhi suitable representation the Connolly-Richards Surface. All the gathered info is analytically computed both the intersections and the projections. First the alpha shape of the set of atoms is computed, then from that the Connolly surface is computed by build all the patches. More... | |
class | ConnollySurfaceRegister |
Defines | |
#define | MAX_INCIDENT_PROBES 50 |
#define | DEFAULT_PROBE_RADIUS 1.4 |
#define | GRID_CONNOLLY_CELL_MAP(i, j, k, l, NX, NY, NZ) gridConnollyCellMap[(l)+(MAX_CONNOLLY_CELLS-1)*((k)+(NZ)*((j)+(NY)*(i)))] |
#define | GRID_CONNOLLY_CELL_MAP_2D(i, j, k, NA, NB) gridConnollyCellMap2D[(k)+(MAX_CONNOLLY_CELLS_2D-1)*((j)+(NB)*(i))] |
#define | SELF_MAP(i, j, k, l, NX, NY, NZ) gridProbesMap[(l)+(MAX_PROBES-1)*((k)+(NZ)*((j)+(NY)*(i)))] |
#define | POINT_CELL 0 |
#define | REGULAR_EDGE_CELL 1 |
#define | SINGULAR_EDGE_CELL 2 |
#define | REGULAR_FACE_CELL 3 |
#define | SINGULAR_FACE_CELL 4 |
ConnollySurface.h is the header for CLASS ConnollySurface.cpp.