Go to the documentation of this file.00001
00054 #ifndef _VOPOT_H_
00055 #define _VOPOT_H_
00056
00057
00058 #include "maloc/maloc.h"
00059 #include "apbs/vhal.h"
00060
00061
00062 #include "apbs/vatom.h"
00063 #include "apbs/valist.h"
00064 #include "apbs/vmgrid.h"
00065 #include "apbs/vunit.h"
00066 #include "apbs/vpbe.h"
00067 #include "apbs/pbeparm.h"
00068
00074 struct sVopot {
00075
00076 Vmgrid *mgrid;
00078 Vpbe *pbe;
00079 Vbcfl bcfl;
00081 };
00082
00087 typedef struct sVopot Vopot;
00088
00099 VEXTERNC Vopot* Vopot_ctor(Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl);
00100
00112 VEXTERNC int Vopot_ctor2(Vopot *thee, Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl);
00113
00122 VEXTERNC int Vopot_pot(Vopot *thee, double x[3], double *pot);
00123
00129 VEXTERNC void Vopot_dtor(Vopot **thee);
00130
00136 VEXTERNC void Vopot_dtor2(Vopot *thee);
00137
00151 VEXTERNC int Vopot_curvature(Vopot *thee, double pt[3], int cflag, double
00152 *curv);
00153
00162 VEXTERNC int Vopot_gradient(Vopot *thee, double pt[3], double grad[3] );
00163
00164
00165 #endif