NanoShaper
0.3.1
NanoShaper is a tool able to triangulate and inspect an arbitray triangulated surface or several types of molecular surfaces such as the Gaussian, Skin and the SES
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ConnollySurface.h is the header for CLASS ConnollySurface.cpp. More...
#include "Surface.h"
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 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. More... | |
Defines | |
#define | MAX_INCIDENT_PROBES 50 |
#define | MAX_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.