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NanoShaperInterface Class Reference

Manages communication with the NanoShaper surface generation program Can only use this class once! More...

#include <NanoShaperInterface.h>

List of all members.

Public Types

enum {
BAD_RANGE = -2, NO_PORTS = -3, NO_CONNECTION = -4, NO_INITIALIZATION = -5,
NANOSHAPER_DIED = -6, COMPUTED = 1
}

return 1 on success. More...

enum { NS_SURF_SES = 0, NS_SURF_SKIN = 1, NS_SURF_BLOBBY = 2, NS_SURF_POCKETS = 3 }

Public Methods

void clear ()

free memory in the ResizeArrays. More...

int compute_from_file (int surftype, float gspacing, float probe_radius, float skin_parm, float blob_parm, int n, int *ids, float *xyzr, int *flgs)

NanoShaperInterface (void)

Public Attributes

int err

was there an error? More...

ResizeArray< int > atomids

map vertices to atoms. More...

ResizeArray< NanoShaperFace > faces

surface facet list. More...

ResizeArray< NanoShaperCoord > coords

vertex list referenced by facets. More...

ResizeArray< NanoShaperCoord > norms

normal list referenced by facets. More...

Detailed Description

Manages communication with the NanoShaper surface generation program Can only use this class once!

Definition at line 69 of file NanoShaperInterface.h.

Member Enumeration Documentation

anonymous enum

return 1 on success.

Enumeration values:: BAD_RANGE

NO_PORTS

NO_CONNECTION

NO_INITIALIZATION

NANOSHAPER_DIED

COMPUTED

Definition at line 72 of file NanoShaperInterface.h.

anonymous enum

Enumeration values:: NS_SURF_SES

NS_SURF_SKIN

NS_SURF_BLOBBY

NS_SURF_POCKETS

Definition at line 75 of file NanoShaperInterface.h.

Constructor & Destructor Documentation

NanoShaperInterface::NanoShaperInterface ( void ) [inline]

Definition at line 89 of file NanoShaperInterface.h.

References err.

Member Function Documentation

void NanoShaperInterface::clear ( )

free memory in the ResizeArrays.

Definition at line 44 of file NanoShaperInterface.C.

References atomids, ResizeArray< NanoShaperCoord >::clear, ResizeArray< NanoShaperFace >::clear, ResizeArray< int >::clear, coords, faces, and norms.

int NanoShaperInterface::compute_from_file ( int surftype,

float gspacing,

float probe_radius,

float skin_parm,

float blob_parm,

int n,

int * ids,

float * xyzr,

int * flgs

)

Member Data Documentation

ResizeArray<int> NanoShaperInterface::atomids

map vertices to atoms.

Definition at line 90 of file NanoShaperInterface.h.

Referenced by clear, and compute_from_file.

ResizeArray<NanoShaperCoord> NanoShaperInterface::coords

vertex list referenced by facets.

Definition at line 92 of file NanoShaperInterface.h.

Referenced by clear, and compute_from_file.

int NanoShaperInterface::err

was there an error?

Definition at line 88 of file NanoShaperInterface.h.

Referenced by NanoShaperInterface.

ResizeArray<NanoShaperFace> NanoShaperInterface::faces

surface facet list.

Definition at line 91 of file NanoShaperInterface.h.

Referenced by clear, and compute_from_file.

ResizeArray<NanoShaperCoord> NanoShaperInterface::norms

normal list referenced by facets.

Definition at line 93 of file NanoShaperInterface.h.

Referenced by clear, and compute_from_file.

The documentation for this class was generated from the following files: