MeasureVolInterior.h Source File

00001 /***************************************************************************
00002  *cr
00003  *cr            (C) Copyright 1995-2019 The Board of Trustees of the
00004  *cr                        University of Illinois
00005  *cr                         All Rights Reserved
00006  *cr
00007  ***************************************************************************/
00008 
00009 /***************************************************************************
00010  * RCS INFORMATION:
00011  *
00012  *      $RCSfile: MeasureVolInterior.h,v $
00013  *      $Author: johns $        $Locker:  $             $State: Exp $
00014  *      $Revision: 1.5 $      $Date: 2019/09/27 00:40:24 $
00015  *
00016  ***************************************************************************
00017  * DESCRIPTION:
00018  *   Method for measuring the interior volume in a vesicle or capsid based    
00019  *   on an externally-provided simulated density map (e.g., from QuickSurf)
00020  *   and a threshold isovalue for inside/outside tests based on density.
00021  *   The approach computes and counts interior/exterior voxels based on 
00022  *   a parallel ray casting approach on an assumed orthorhombic grid.
00023  *   Juan R. Perilla - 2018
00024  *
00025  ***************************************************************************/
00026 VolumetricData* CreateEmptyGrid(const VolumetricData *);  
00027 void VolInterior_CleanGrid(VolumetricData *);
00028 long RaycastGrid(const VolumetricData *, VolumetricData *, float, float *);  
00029 long volin_threaded(const VolumetricData *, VolumetricData *, float, float *);
00030 long countIsoGrids(const VolumetricData *, const float);
00031 long markIsoGrid(const VolumetricData *, VolumetricData *, const float);
00032 VolumetricData* CreateProbGrid(const VolumetricData *);
00033 VolumetricData* normalize_pmap(const VolumetricData *, int);
00034 long volin_threaded_prob(const VolumetricData *, VolumetricData *, VolumetricData *, float, float *);
00035 long vol_probability(const VolumetricData*,float,float);
00036 bool isfloat(char*);
00037 VolumetricData* process_pmap (const VolumetricData*, float);
00038 
00039 #define EXTERIORVOXEL 5.0f
00040 #define INTERIORVOXEL 0.0f
00041 #define PROTEINVOXEL -5.0f
00042 #define VOLMAPTOLERANCE 0.000000000001f
00043