APBS 3.0.0
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geoflowparm.h
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1
64#ifndef _GEOFLOWPARM_H_
65#define _GEOFLOWPARM_H_
66
67/* Generic header files */
68#include "maloc/maloc.h"
69
70#include "generic/vhal.h"
71#include "generic/vstring.h"
72
78 //other methods disabled for now only auto currently implemented.
79 //GFCT_MANUAL=0, /**< GEOFLOW-manual */
81 //GFCT_NONE=2 /**< not defined */
82};
83
89
98typedef struct sGEOFLOWparm {
99
101 int parsed;
103 /* *** GENERIC PARAMETERS *** */
104 int vdw;
105 int setvdw;
106 double etol;
109
117
125VEXTERNC Vrc_Codes GEOFLOWparm_ctor2(GEOFLOWparm *thee, GEOFLOWparm_CalcType type);
126
132VEXTERNC void GEOFLOWparm_dtor(GEOFLOWparm **thee);
133
139VEXTERNC void GEOFLOWparm_dtor2(GEOFLOWparm *thee);
140
147VEXTERNC Vrc_Codes GEOFLOWparm_check(GEOFLOWparm *thee);
148
158VEXTERNC Vrc_Codes GEOFLOWparm_parseToken(GEOFLOWparm *thee, char tok[VMAX_BUFSIZE],
159 Vio *sock);
167VEXTERNC void GEOFLOWparm_copy(GEOFLOWparm *thee, GEOFLOWparm *parm);
168
169VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
170
171VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
172
173
174
175#endif
176
VEXTERNC void GEOFLOWparm_dtor2(GEOFLOWparm *thee)
FORTRAN stub for object destructor ?????????!!!!!!!!!!!!
Definition geoflowparm.c:99
eGEOFLOWparm_CalcType
Calculation type.
Definition geoflowparm.h:77
VEXTERNC GEOFLOWparm * GEOFLOWparm_ctor(GEOFLOWparm_CalcType type)
Construct GEOFLOWparm object.
Definition geoflowparm.c:66
VEXTERNC Vrc_Codes GEOFLOWparm_parseToken(GEOFLOWparm *thee, char tok[VMAX_BUFSIZE], Vio *sock)
Parse an MG keyword from an input file.
VEXTERNC void GEOFLOWparm_dtor(GEOFLOWparm **thee)
Object destructor.
Definition geoflowparm.c:91
VEXTERNC void GEOFLOWparm_copy(GEOFLOWparm *thee, GEOFLOWparm *parm)
copy GEOFLOWparm object int thee.
enum eGEOFLOWparm_CalcType GEOFLOWparm_CalcType
Declare GEOFLOWparm_CalcType type.
Definition geoflowparm.h:88
struct sGEOFLOWparm GEOFLOWparm
Parameter structure for GEOFLOW-specific variables from input files.
VEXTERNC Vrc_Codes GEOFLOWparm_check(GEOFLOWparm *thee)
Consistency check for parameter values stored in object.
VEXTERNC Vrc_Codes GEOFLOWparm_ctor2(GEOFLOWparm *thee, GEOFLOWparm_CalcType type)
FORTRAN stub to construct GEOFLOWparm object ?????????!!!!!!!
Definition geoflowparm.c:77
@ GFCT_AUTO
Definition geoflowparm.h:80
Parameter structure for GEOFLOW-specific variables from input files.
Definition geoflowparm.h:98
GEOFLOWparm_CalcType type
Contains generic macro definitions for APBS.
Contains declarations for class Vstring.