sVaccSurf Struct Reference
[Vacc class]

Surface object list of per-atom surface points. More...

#include <vacc.h>

Data Fields
Vmem *	mem
double *	xpts
double *	ypts
double *	zpts
char *	bpts
double	area
int	npts
double	probe_radius

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Detailed Description

Surface object list of per-atom surface points.

Author:

Nathan Baker

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Field Documentation

double sVaccSurf::area

Area spanned by these points

Referenced by Vacc_atomSASA(), Vacc_atomSurf(), Vacc_SASA(), and VaccSurf_ctor2().

char* sVaccSurf::bpts

Array of booleans indicating whether a point is (1) or is not (0) part of the surface

Referenced by Vacc_atomSurf(), VaccSurf_ctor2(), VaccSurf_dtor2(), and VaccSurf_refSphere().

Vmem* sVaccSurf::mem

Memory object

Referenced by VaccSurf_ctor2().

int sVaccSurf::npts

Length of thee->xpts, ypts, zpts arrays

Referenced by fillcoCoefMolDielNoSmooth(), Vacc_atomSurf(), Vacc_fastMolAcc(), Vacc_storeParms(), VaccSurf_ctor2(), VaccSurf_dtor2(), and VaccSurf_refSphere().

double sVaccSurf::probe_radius

Probe radius (A) with which this surface was constructed

Referenced by Vacc_atomSASA(), Vacc_atomSASPoints(), Vacc_SASA(), and VaccSurf_ctor2().

double* sVaccSurf::xpts

Array of point x-locations

Referenced by fillcoCoefMolDielNoSmooth(), Vacc_atomSurf(), Vacc_fastMolAcc(), VaccSurf_ctor2(), VaccSurf_dtor2(), and VaccSurf_refSphere().

double* sVaccSurf::ypts

Array of point y-locations

Referenced by fillcoCoefMolDielNoSmooth(), Vacc_atomSurf(), Vacc_fastMolAcc(), VaccSurf_ctor2(), VaccSurf_dtor2(), and VaccSurf_refSphere().

double* sVaccSurf::zpts

Array of point z-locations

Referenced by fillcoCoefMolDielNoSmooth(), Vacc_atomSurf(), Vacc_fastMolAcc(), VaccSurf_ctor2(), VaccSurf_dtor2(), and VaccSurf_refSphere().

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The documentation for this struct was generated from the following file:

• vacc.h