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QuickSurf.C File Reference

#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <math.h>
#include "QuickSurf.h"
#include "CUDAQuickSurf.h"
#include "Measure.h"
#include "Inform.h"
#include "utilities.h"
#include "WKFUtils.h"
#include "VolumetricData.h"
#include "VMDDisplayList.h"
#include "Displayable.h"
#include "DispCmds.h"

Go to the source code of this file.

Compounds
struct	densitythrparms
union	flint_t
Defines
#define	MIN(X, Y)   (((X)<(Y))? (X) : (Y))
#define	MAX(X, Y)   (((X)>(Y))? (X) : (Y))
#define	MLOG2EF   -1.44269504088896f
#define	SCEXP0   1.0000000000000000f
#define	SCEXP1   0.6987082824680118f
#define	SCEXP2   0.2633174272827404f
#define	SCEXP3   0.0923611991471395f
#define	SCEXP4   0.0277520543324108f
#define	EXPOBIAS   127
#define	EXPOSHIFT   23
#define	ACUTOFF   -10
Typedefs
typedef flint_t	flint
Functions
float	aexpfnx (float x)
void	vmd_gaussdensity (int natoms, const float *xyzr, const float *colors, float *densitymap, float *voltexmap, const int *numvoxels, float radscale, float gridspacing, float isovalue, float gausslim)
void	vmd_gaussdensity_opt (int natoms, const float *xyzr, const float *colors, float *densitymap, float *voltexmap, const int *numvoxels, float radscale, float gridspacing, float isovalue, float gausslim)
void *	densitythread (void *voidparms)
void *	reductionthread (void *voidparms)
int	vmd_gaussdensity_threaded (int natoms, const float *xyzr, const float *colors, float *densitymap, float *voltexmap, const int *numvoxels, float radscale, float gridspacing, float isovalue, float gausslim)

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Define Documentation

#define ACUTOFF   -10

Definition at line 97 of file QuickSurf.C. Referenced by aexpfnx.

#define EXPOBIAS   127

Definition at line 93 of file QuickSurf.C. Referenced by aexpfnx, and vmd_gaussdensity_opt.

#define EXPOSHIFT   23

Definition at line 94 of file QuickSurf.C. Referenced by aexpfnx, and vmd_gaussdensity_opt.

#define MAX (  X, Y    )     (((X)>(Y))? (X) : (Y))

Definition at line 38 of file QuickSurf.C.

#define MIN (  X, Y    )     (((X)<(Y))? (X) : (Y))

Definition at line 37 of file QuickSurf.C.

#define MLOG2EF   -1.44269504088896f

Definition at line 80 of file QuickSurf.C. Referenced by aexpfnx, and vmd_gaussdensity_opt.

#define SCEXP0   1.0000000000000000f

Definition at line 86 of file QuickSurf.C. Referenced by aexpfnx, and vmd_gaussdensity_opt.

#define SCEXP1   0.6987082824680118f

Definition at line 87 of file QuickSurf.C. Referenced by aexpfnx, and vmd_gaussdensity_opt.

#define SCEXP2   0.2633174272827404f

Definition at line 88 of file QuickSurf.C. Referenced by aexpfnx, and vmd_gaussdensity_opt.

#define SCEXP3   0.0923611991471395f

Definition at line 89 of file QuickSurf.C. Referenced by aexpfnx, and vmd_gaussdensity_opt.

#define SCEXP4   0.0277520543324108f

Definition at line 90 of file QuickSurf.C. Referenced by aexpfnx, and vmd_gaussdensity_opt.

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Typedef Documentation

typedef union flint_t flint

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Function Documentation

float aexpfnx (  float    x )  [static]

Definition at line 104 of file QuickSurf.C. References ACUTOFF, EXPOBIAS, EXPOSHIFT, flint_t::f, MLOG2EF, flint_t::n, SCEXP0, SCEXP1, SCEXP2, SCEXP3, and SCEXP4. Referenced by evaluate_grid, and vmd_gaussdensity.

void* densitythread (  void *    voidparms )  [static]

Definition at line 440 of file QuickSurf.C. References densitythrparms::colors, wkf_tasktile_struct::end, densitythrparms::gausslim, densitythrparms::gridspacing, densitythrparms::isovalue, NULL, densitythrparms::numvoxels, densitythrparms::radscale, wkf_tasktile_struct::start, densitythrparms::thrdensitymaps, densitythrparms::thrvoltexmaps, vmd_gaussdensity_opt, WKF_SCHED_DONE, wkf_threadlaunch_getdata, wkf_threadlaunch_getid, wkf_threadlaunch_next_tile, and densitythrparms::xyzr. Referenced by vmd_gaussdensity_threaded.

void* reductionthread (  void *    voidparms )  [static]

Definition at line 466 of file QuickSurf.C. References wkf_tasktile_struct::end, NULL, wkf_tasktile_struct::start, densitythrparms::thrdensitymaps, densitythrparms::thrvoltexmaps, WKF_SCHED_DONE, wkf_threadlaunch_getdata, wkf_threadlaunch_getid, and wkf_threadlaunch_next_tile. Referenced by vmd_gaussdensity_threaded.

void vmd_gaussdensity (  int    natoms, const float *    xyzr, const float *    colors, float *    densitymap, float *    voltexmap, const int *    numvoxels, float    radscale, float    gridspacing, float    isovalue, float    gausslim )  [static]

Definition at line 124 of file QuickSurf.C. References aexpfnx, MAX, MIN, and NULL.

void vmd_gaussdensity_opt (  int    natoms, const float *    xyzr, const float *    colors, float *    densitymap, float *    voltexmap, const int *    numvoxels, float    radscale, float    gridspacing, float    isovalue, float    gausslim )  [static]

Definition at line 266 of file QuickSurf.C. References EXPOBIAS, EXPOSHIFT, flint_t::f, MAX, MIN, MLOG2EF, flint_t::n, NULL, SCEXP0, SCEXP1, SCEXP2, SCEXP3, and SCEXP4. Referenced by QuickSurf::calc_surf, and densitythread.

int vmd_gaussdensity_threaded (  int    natoms, const float *    xyzr, const float *    colors, float *    densitymap, float *    voltexmap, const int *    numvoxels, float    radscale, float    gridspacing, float    isovalue, float    gausslim )  [static]

Definition at line 501 of file QuickSurf.C. References densitythrparms::colors, densitythread, wkf_tasktile_struct::end, densitythrparms::gausslim, densitythrparms::gridspacing, densitythrparms::isovalue, densitythrparms::natoms, NULL, densitythrparms::numvoxels, densitythrparms::radscale, reductionthread, wkf_tasktile_struct::start, densitythrparms::thrdensitymaps, densitythrparms::thrvoltexmaps, wkf_thread_numprocessors, wkf_threadlaunch, and densitythrparms::xyzr. Referenced by QuickSurf::calc_surf.

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