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vmgrid.h

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00001 
00072 #ifndef _VMGRID_H_
00073 #define _VMGRID_H_
00074 
00075 /* Generic headers */
00076 #include "maloc/maloc.h"
00077 #include "apbs/vhal.h"
00078 
00079 /* Headers specific to this file */
00080 #include "apbs/vgrid.h"
00081 
00085 #define VMGRIDMAX 20
00086 
00087 
00093 struct sVmgrid {
00094 
00095     int ngrids;                
00096     Vgrid *grids[VMGRIDMAX];   
00101 };
00102 
00107 typedef struct sVmgrid Vmgrid;
00108 
00114 Vmgrid*  Vmgrid_ctor();
00115 
00122 int Vmgrid_ctor2(Vmgrid *thee);
00123 
00132 int Vmgrid_value(Vmgrid *thee, double x[3], double *value);
00133 
00139 void Vmgrid_dtor(Vmgrid **thee);
00140 
00146 void Vmgrid_dtor2(Vmgrid *thee);
00147 
00160 int Vmgrid_addGrid(Vmgrid *thee, Vgrid *grid);
00161 
00162 
00176 int Vmgrid_curvature(Vmgrid *thee, double pt[3], int cflag, 
00177   double *curv);
00178 
00187 int Vmgrid_gradient(Vmgrid *thee, double pt[3], double grad[3] );
00188 
00196 Vgrid* Vmgrid_getGridByNum(Vmgrid *thee, int num);
00197 
00205 Vgrid* Vmgrid_getGridByPoint(Vmgrid *thee, double pt[3]);
00206 
00207 #endif
00208 
00209 

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