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MeasureVolInterior.C File Reference

#include <tcl.h>
#include "TclCommands.h"
#include "AtomSel.h"
#include "VMDApp.h"
#include "MoleculeList.h"
#include "Molecule.h"
#include "VolumetricData.h"
#include "VolMapCreate.h"
#include "QuickSurf.h"
#include <math.h>
#include "MeasureVolInterior.h"
#include "utilities.h"
#include <sstream>
#include <string>

Go to the source code of this file.

Defines

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

Typedefs

typedef const VolumetricData * volmapA

Functions

void * volinthread_prob (void *voidparms)

void * volinthread (void *voidparms)

long volin_threaded_prob (const VolumetricData *volmapA, VolumetricData *targetVol, VolumetricData *targetPvol, float _isovalue, float *rayDir)

long volin_threaded (const VolumetricData *volmapA, VolumetricData *targetVol, float _isovalue, float *rayDir)

VolumetricData * CreateEmptyGrid (const VolumetricData *volmapA)

VolumetricData * CreateProbGrid (const VolumetricData *volmapA)

VolumetricData * normalize_pmap (const VolumetricData *volmapA, int nrays)

void VolIn_CleanGrid (VolumetricData *volmapA)

long countIsoGrids (const VolumetricData *volmapA, const float _isovalue)

long markIsoGrid (const VolumetricData *volmapA, VolumetricData *targetVol, const float _isovalue)

long RaycastGrid (const VolumetricData *volmapA, VolumetricData *targetVol, float _isovalue, float *rayDir)

VolumetricData * process_pmap (const VolumetricData *pmap, float cutoff)

long vol_probability (const VolumetricData *probmap, float cutoff, float gspace)

bool isfloat (char *opt)

Variables

VolumetricData * targetVol

VolumetricData * pmap

float * targetPmap

float * targetMap

const float * testMap

const int * numvoxels

float isovalue

wkf_mutex_t mtx

const float * rayDir

long Nout

Define Documentation

#define MIN ( X,

Y ) (((X)<(Y))? (X) : (Y))

Definition at line 43 of file MeasureVolInterior.C.

Typedef Documentation

typedef struct const VolumetricData* volmapA

Definition at line 45 of file MeasureVolInterior.C.

Referenced by calc_cc, countIsoGrids, CreateEmptyGrid, CreateProbGrid, density_calc_cc, density_com, density_rotate, markIsoGrid, mdff_cc, normalize_pmap, RaycastGrid, rotate, vmd_measure_volinterior, VolIn_CleanGrid, volin_threaded, and volin_threaded_prob.

Function Documentation

long countIsoGrids ( const VolumetricData * volmapA,

const float _isovalue

)

Definition at line 469 of file MeasureVolInterior.C.

References VolumetricData::data, VolumetricData::gridsize, and volmapA.

VolumetricData* CreateEmptyGrid ( const VolumetricData * volmapA )

Definition at line 401 of file MeasureVolInterior.C.

References VolumetricData::origin, targetVol, volmap, volmapA, volsz, VolumetricData::xaxis, VolumetricData::xsize, VolumetricData::yaxis, VolumetricData::ysize, VolumetricData::zaxis, and VolumetricData::zsize.

VolumetricData* CreateProbGrid ( const VolumetricData * volmapA )

Definition at line 420 of file MeasureVolInterior.C.

References VolumetricData::origin, volmap, volmapA, volsz, VolumetricData::xaxis, VolumetricData::xsize, VolumetricData::yaxis, VolumetricData::ysize, VolumetricData::zaxis, and VolumetricData::zsize.

bool isfloat ( char * opt )

Definition at line 616 of file MeasureVolInterior.C.

long markIsoGrid ( const VolumetricData * volmapA,

VolumetricData * targetVol,

const float _isovalue

)

Definition at line 482 of file MeasureVolInterior.C.

References VolumetricData::data, VolumetricData::gridsize, PROTEINVOXEL, targetVol, and volmapA.

VolumetricData* normalize_pmap ( const VolumetricData * volmapA,

int nrays

)

Definition at line 439 of file MeasureVolInterior.C.

References VolumetricData::data, VolumetricData::gridsize, VolumetricData::origin, targetPmap, volmap, volmapA, volsz, VolumetricData::xaxis, VolumetricData::xsize, VolumetricData::yaxis, VolumetricData::ysize, VolumetricData::zaxis, and VolumetricData::zsize.

VolumetricData* process_pmap ( const VolumetricData * pmap,

float cutoff

)

Definition at line 572 of file MeasureVolInterior.C.

References VolumetricData::data, EXTERIORVOXEL, VolumetricData::gridsize, INTERIORVOXEL, VolumetricData::origin, pmap, PROTEINVOXEL, targetPmap, volmap, VOLMAPTOLERANCE, volsz, VolumetricData::xaxis, VolumetricData::xsize, VolumetricData::yaxis, VolumetricData::ysize, VolumetricData::zaxis, and VolumetricData::zsize.

long RaycastGrid ( const VolumetricData * volmapA,

VolumetricData * targetVol,

float _isovalue,

float * rayDir

)

Definition at line 501 of file MeasureVolInterior.C.

References VolumetricData::data, EXTERIORVOXEL, isovalue, rayDir, targetVol, volmapA, VolumetricData::xsize, VolumetricData::ysize, z, and VolumetricData::zsize.

long vol_probability ( const VolumetricData * probmap,

float cutoff,

float gspace

)

Definition at line 602 of file MeasureVolInterior.C.

References VolumetricData::data, and VolumetricData::gridsize.

void VolIn_CleanGrid ( VolumetricData * volmapA )

Definition at line 463 of file MeasureVolInterior.C.

References VolumetricData::data, volmapA, volsz, VolumetricData::xsize, VolumetricData::ysize, and VolumetricData::zsize.

long volin_threaded ( const VolumetricData * volmapA,

VolumetricData * targetVol,

float _isovalue,

float * rayDir

)

Definition at line 318 of file MeasureVolInterior.C.

References VolumetricData::data, wkf_tasktile_struct::end, Nout, NULL, numvoxels, rayDir, wkf_tasktile_struct::start, targetVol, vmd_get_avail_physmem_mb, volinparms, volinthread, volmapA, volsz, voltexmap, wkf_mutex_destroy, wkf_mutex_init, wkf_thread_numprocessors, wkf_threadlaunch, VolumetricData::xsize, VolumetricData::ysize, and VolumetricData::zsize.

long volin_threaded_prob ( const VolumetricData * volmapA,

VolumetricData * targetVol,

VolumetricData * targetPvol,

float _isovalue,

float * rayDir

)

Definition at line 234 of file MeasureVolInterior.C.

References VolumetricData::data, wkf_tasktile_struct::end, Nout, NULL, numvoxels, rayDir, wkf_tasktile_struct::start, targetVol, vmd_get_avail_physmem_mb, volinparms, volinthread_prob, volmapA, volsz, voltexmap, wkf_mutex_destroy, wkf_mutex_init, wkf_thread_numprocessors, wkf_threadlaunch, VolumetricData::xsize, VolumetricData::ysize, and VolumetricData::zsize.

void* volinthread ( void * voidparms ) [static]

Definition at line 147 of file MeasureVolInterior.C.

References wkf_tasktile_struct::end, EXTERIORVOXEL, Nout, NULL, wkf_tasktile_struct::start, volinparms, wkf_mutex_lock, wkf_mutex_unlock, WKF_SCHED_DONE, wkf_threadlaunch_getdata, wkf_threadlaunch_next_tile, and z.

Referenced by volin_threaded.

void* volinthread_prob ( void * voidparms ) [static]

Definition at line 60 of file MeasureVolInterior.C.

References wkf_tasktile_struct::end, Nout, NULL, PROTEINVOXEL, wkf_tasktile_struct::start, volinparms, wkf_mutex_lock, wkf_mutex_unlock, WKF_SCHED_DONE, wkf_threadlaunch_getdata, wkf_threadlaunch_next_tile, and z.

Referenced by volin_threaded_prob.

Variable Documentation

float isovalue

Definition at line 53 of file MeasureVolInterior.C.

Referenced by CUDAQuickSurf::calc_surf, IsoSurface::compute, IsoContour::compute, IsoContour::DoCell, IsoSurface::DoCellGeneral, IsoSurface::DoGridPosNorms, RaycastGrid, vmd_gaussdensity_avx2, vmd_gaussdensity_opt, vmd_gaussdensity_threaded, and vmd_measure_volinterior.

wkf_mutex_t mtx

Definition at line 54 of file MeasureVolInterior.C.

long Nout

Definition at line 56 of file MeasureVolInterior.C.

Referenced by vmd_measure_volinterior, volin_threaded, volin_threaded_prob, volinthread, and volinthread_prob.

const int* numvoxels

Definition at line 52 of file MeasureVolInterior.C.

Referenced by volin_threaded, and volin_threaded_prob.

VolumetricData* pmap

Definition at line 48 of file MeasureVolInterior.C.

Referenced by process_pmap, and vmd_measure_volinterior.

const float* rayDir

Definition at line 55 of file MeasureVolInterior.C.

Referenced by RaycastGrid, vmd_measure_volinterior, volin_threaded, and volin_threaded_prob.

float* targetMap

Definition at line 50 of file MeasureVolInterior.C.

float* targetPmap

Definition at line 49 of file MeasureVolInterior.C.

Referenced by normalize_pmap, and process_pmap.

VolumetricData* targetVol

Definition at line 47 of file MeasureVolInterior.C.

Referenced by CreateEmptyGrid, markIsoGrid, RaycastGrid, volin_threaded, and volin_threaded_prob.

const float* testMap

Definition at line 51 of file MeasureVolInterior.C.

volinparms

Definition at line 57 of file MeasureVolInterior.C.

Referenced by volin_threaded, volin_threaded_prob, volinthread, and volinthread_prob.

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