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src/mg/apbs/vmgrid.h

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00001 
00054 #ifndef _VMGRID_H_
00055 #define _VMGRID_H_
00056 
00057 /* Generic headers */
00058 #include "maloc/maloc.h"
00059 #include "apbs/vhal.h"
00060 
00061 /* Headers specific to this file */
00062 #include "apbs/vgrid.h"
00063 
00068 #define VMGRIDMAX 20
00069 
00070 
00076 struct sVmgrid {
00077 
00078     int ngrids;                
00079     Vgrid *grids[VMGRIDMAX];   
00084 };
00085 
00090 typedef struct sVmgrid Vmgrid;
00091 
00097 VEXTERNC Vmgrid*  Vmgrid_ctor();
00098 
00105 VEXTERNC int Vmgrid_ctor2(Vmgrid *thee);
00106 
00115 VEXTERNC int Vmgrid_value(Vmgrid *thee, double x[3], double *value);
00116 
00122 VEXTERNC void Vmgrid_dtor(Vmgrid **thee);
00123 
00129 VEXTERNC void Vmgrid_dtor2(Vmgrid *thee);
00130 
00143 VEXTERNC int Vmgrid_addGrid(Vmgrid *thee, Vgrid *grid);
00144 
00145 
00159 VEXTERNC int Vmgrid_curvature(Vmgrid *thee, double pt[3], int cflag, 
00160   double *curv);
00161 
00170 VEXTERNC int Vmgrid_gradient(Vmgrid *thee, double pt[3], double grad[3] );
00171 
00179 VEXTERNC Vgrid* Vmgrid_getGridByNum(Vmgrid *thee, int num);
00180 
00188 VEXTERNC Vgrid* Vmgrid_getGridByPoint(Vmgrid *thee, double pt[3]);
00189 
00190 #endif
00191 

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