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Surf Class Reference

Interface to the SURF solvent accessible surface package. More...

#include <Surf.h>

List of all members.

Public Methods

 Surf ()
int compute (float probe_r, int num_points, float *r, float *x, float *y, float *z)
 return 1 on success, 0 on fail takes the probe radius and the array of x,y,z,r values. More...

void clear ()
 free up triangle mesh memory. More...


Public Attributes

int numtriangles
 number of triangles in the facet list. More...

ResizeArray< float > v
 vertices. More...

ResizeArray< float > n
 normals. More...

ResizeArray< int > f
 facets. More...

ResizeArray< int > ind
 facet-to-atom index map. More...


Detailed Description

Interface to the SURF solvent accessible surface package.

Definition at line 28 of file Surf.h.


Constructor & Destructor Documentation

Surf::Surf  
 

Definition at line 33 of file Surf.C.


Member Function Documentation

void Surf::clear  
 

free up triangle mesh memory.

Definition at line 156 of file Surf.C.

References ResizeArray< int >::clear, ResizeArray< float >::clear, f, ind, n, numtriangles, and v.

Referenced by DrawMolItem::change_rep.

int Surf::compute float    probe_r,
int    num_points,
float *    r,
float *    x,
float *    y,
float *    z
 

return 1 on success, 0 on fail takes the probe radius and the array of x,y,z,r values.

Definition at line 35 of file Surf.C.

References ResizeArray< int >::append, ResizeArray< float >::append3x3, f, ind, n, NULL, num, numtriangles, tri_degenerate, v, vmd_delete_file, VMD_FILENAME_MAX, vmd_getuid, vmd_random, vmd_system, vmd_tempfile, and z.


Member Data Documentation

ResizeArray<int> Surf::f
 

facets.

Definition at line 33 of file Surf.h.

Referenced by clear, and compute.

ResizeArray<int> Surf::ind
 

facet-to-atom index map.

Definition at line 34 of file Surf.h.

Referenced by clear, and compute.

ResizeArray<float> Surf::n
 

normals.

Definition at line 32 of file Surf.h.

Referenced by clear, and compute.

int Surf::numtriangles
 

number of triangles in the facet list.

Definition at line 30 of file Surf.h.

Referenced by clear, and compute.

ResizeArray<float> Surf::v
 

vertices.

Definition at line 31 of file Surf.h.

Referenced by clear, and compute.


The documentation for this class was generated from the following files:
Generated on Fri Jan 17 02:36:50 2020 for VMD (current) by doxygen1.2.14 written by Dimitri van Heesch, © 1997-2002