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QuickSurf.h

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/***************************************************************************
 *cr                                                                       
 *cr            (C) Copyright 1995-2019 The Board of Trustees of the           
 *cr                        University of Illinois                       
 *cr                         All Rights Reserved                        
 *cr                                                                   
 ***************************************************************************/

/***************************************************************************
 * RCS INFORMATION:
 *
 *      $RCSfile: QuickSurf.h,v $
 *      $Author: johns $        $Locker:  $             $State: Exp $
 *      $Revision: 1.21 $       $Date: 2019/01/17 21:21:01 $
 *
 ***************************************************************************
 * DESCRIPTION:
 *   Fast gaussian surface representation
 ***************************************************************************/
#ifndef QUICKSURF_H
#define QUICKSURF_H

#include "AtomSel.h"
#include "ResizeArray.h"
#include "Isosurface.h"
#include "WKFUtils.h"
#include "VolumetricData.h"
#include "VMDDisplayList.h"

class CUDAQuickSurf;

class QuickSurf {
private:
  float *volmap;           
  float *voltexmap;        
  IsoSurface s;            
  float isovalue;          
  float solidcolor[3];     
  int numvoxels[3];        
  float origin[3];         
  float xaxis[3];          
  float yaxis[3];          
  float zaxis[3];          

  int force_cpuonly;       
  CUDAQuickSurf *cudaqs;   

  wkf_timerhandle timer;   
  double pretime;          
  double voltime;          
  double gradtime;         
  double mctime;           
  double mcverttime;       
  double reptime;          

public:
  QuickSurf(int forcecpuonly=0);
  ~QuickSurf(void);

  void free_gpu_memory(void); 



  int calc_surf(AtomSel * atomSel, DrawMolecule *mymol, 
                const float *atompos, const float *atomradii,
                int quality, float radscale, float gridspacing, float isovalue,
                const int *colidx, const float *cmap, VMDDisplayList *cmdList); 

  VolumetricData * calc_density_map(AtomSel * atomSel, DrawMolecule *mymol, 
                                    const float *atompos, 
                                    const float *atomradii,
                                    int quality, float radscale, 
                                    float gridspacing);

private:
  int get_trimesh(int &numverts, float *&v3fv, float *&n3fv, float *&c3fv,
                  int &numfacets, int *&fiv);

  int draw_trimesh(VMDDisplayList *cmdList);

};

#endif

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