APBS  1.5
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 
98 typedef struct sGEOFLOWparm {
99 
101  int parsed;
103  /* *** GENERIC PARAMETERS *** */
104  int vdw;
105  int setvdw;
106  double etol;
108 } GEOFLOWparm;
109 
117 
125 VEXTERNC Vrc_Codes GEOFLOWparm_ctor2(GEOFLOWparm *thee, GEOFLOWparm_CalcType type);
126 
132 VEXTERNC void GEOFLOWparm_dtor(GEOFLOWparm **thee);
133 
139 VEXTERNC void GEOFLOWparm_dtor2(GEOFLOWparm *thee);
140 
147 VEXTERNC Vrc_Codes GEOFLOWparm_check(GEOFLOWparm *thee);
148 
158 VEXTERNC Vrc_Codes GEOFLOWparm_parseToken(GEOFLOWparm *thee, char tok[VMAX_BUFSIZE],
159  Vio *sock);
167 VEXTERNC void GEOFLOWparm_copy(GEOFLOWparm *thee, GEOFLOWparm *parm);
168 
169 VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock);
170 
171 VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock);
172 
173 
174 
175 #endif
176 
enum eGEOFLOWparm_CalcType GEOFLOWparm_CalcType
Declare GEOFLOWparm_CalcType type.
Definition: geoflowparm.h:88
Parameter structure for GEOFLOW-specific variables from input files.
Definition: geoflowparm.h:98
struct sGEOFLOWparm GEOFLOWparm
Parameter structure for GEOFLOW-specific variables from input files.
VEXTERNC void GEOFLOWparm_dtor2(GEOFLOWparm *thee)
FORTRAN stub for object destructor ?????????!!!!!!!!!!!!
Definition: geoflowparm.c:99
GEOFLOWparm_CalcType type
Definition: geoflowparm.h:100
VEXTERNC Vrc_Codes GEOFLOWparm_parseToken(GEOFLOWparm *thee, char tok[VMAX_BUFSIZE], Vio *sock)
Parse an MG keyword from an input file.
Definition: geoflowparm.c:212
VEXTERNC Vrc_Codes GEOFLOWparm_check(GEOFLOWparm *thee)
Consistency check for parameter values stored in object.
Definition: geoflowparm.c:101
VEXTERNC void GEOFLOWparm_copy(GEOFLOWparm *thee, GEOFLOWparm *parm)
copy GEOFLOWparm object int thee.
Definition: geoflowparm.c:127
Contains declarations for class Vstring.
Contains generic macro definitions for APBS.
VEXTERNC Vrc_Codes GEOFLOWparm_ctor2(GEOFLOWparm *thee, GEOFLOWparm_CalcType type)
FORTRAN stub to construct GEOFLOWparm object ?????????!!!!!!!
Definition: geoflowparm.c:77
VEXTERNC void GEOFLOWparm_dtor(GEOFLOWparm **thee)
Object destructor.
Definition: geoflowparm.c:91
VEXTERNC GEOFLOWparm * GEOFLOWparm_ctor(GEOFLOWparm_CalcType type)
Construct GEOFLOWparm object.
Definition: geoflowparm.c:66
eGEOFLOWparm_CalcType
Calculation type.
Definition: geoflowparm.h:77