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vmgrid.h

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00001 
00049 #ifndef _VMGRID_H_
00050 #define _VMGRID_H_
00051 
00052 /* Generic headers */
00053 #include "maloc/maloc.h"
00054 #include "apbs/vhal.h"
00055 
00056 /* Headers specific to this file */
00057 #include "apbs/vgrid.h"
00058 
00062 #define VMGRIDMAX 20
00063 
00064 
00070 struct sVmgrid {
00071 
00072     int ngrids;                
00073     Vgrid *grids[VMGRIDMAX];   
00078 };
00079 
00084 typedef struct sVmgrid Vmgrid;
00085 
00091 Vmgrid*  Vmgrid_ctor();
00092 
00099 int Vmgrid_ctor2(Vmgrid *thee);
00100 
00109 int Vmgrid_value(Vmgrid *thee, double x[3], double *value);
00110 
00116 void Vmgrid_dtor(Vmgrid **thee);
00117 
00123 void Vmgrid_dtor2(Vmgrid *thee);
00124 
00137 int Vmgrid_addGrid(Vmgrid *thee, Vgrid *grid);
00138 
00139 
00153 int Vmgrid_curvature(Vmgrid *thee, double pt[3], int cflag, 
00154   double *curv);
00155 
00164 int Vmgrid_gradient(Vmgrid *thee, double pt[3], double grad[3] );
00165 
00173 Vgrid* Vmgrid_getGridByNum(Vmgrid *thee, int num);
00174 
00182 Vgrid* Vmgrid_getGridByPoint(Vmgrid *thee, double pt[3]);
00183 
00184 #endif
00185 
00186 

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