APBS
3.0.0
Toggle main menu visibility
Loading...
Searching...
No Matches
geoflowparm.h
Go to the documentation of this file.
1
5
62
63
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
77
enum
eGEOFLOWparm_CalcType
{
78
//other methods disabled for now only auto currently implemented.
79
//GFCT_MANUAL=0, /**< GEOFLOW-manual */
80
GFCT_AUTO
=1,
81
//GFCT_NONE=2 /**< not defined */
82
};
83
88
typedef
enum
eGEOFLOWparm_CalcType
GEOFLOWparm_CalcType
;
89
98
typedef
struct
sGEOFLOWparm
{
99
100
GEOFLOWparm_CalcType
type
;
101
int
parsed
;
102
103
/* *** GENERIC PARAMETERS *** */
104
int
vdw;
105
int
setvdw;
106
double
etol
;
107
108
}
GEOFLOWparm
;
109
116
VEXTERNC
GEOFLOWparm
*
GEOFLOWparm_ctor
(
GEOFLOWparm_CalcType
type);
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
GEOFLOWparm_dtor2
VEXTERNC void GEOFLOWparm_dtor2(GEOFLOWparm *thee)
FORTRAN stub for object destructor ?????????!!!!!!!!!!!!
Definition
geoflowparm.c:99
eGEOFLOWparm_CalcType
eGEOFLOWparm_CalcType
Calculation type.
Definition
geoflowparm.h:77
GEOFLOWparm_ctor
VEXTERNC GEOFLOWparm * GEOFLOWparm_ctor(GEOFLOWparm_CalcType type)
Construct GEOFLOWparm object.
Definition
geoflowparm.c:66
GEOFLOWparm_parseToken
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
GEOFLOWparm_dtor
VEXTERNC void GEOFLOWparm_dtor(GEOFLOWparm **thee)
Object destructor.
Definition
geoflowparm.c:91
GEOFLOWparm_copy
VEXTERNC void GEOFLOWparm_copy(GEOFLOWparm *thee, GEOFLOWparm *parm)
copy GEOFLOWparm object int thee.
Definition
geoflowparm.c:127
GEOFLOWparm_CalcType
enum eGEOFLOWparm_CalcType GEOFLOWparm_CalcType
Declare GEOFLOWparm_CalcType type.
Definition
geoflowparm.h:88
GEOFLOWparm
struct sGEOFLOWparm GEOFLOWparm
Parameter structure for GEOFLOW-specific variables from input files.
GEOFLOWparm_check
VEXTERNC Vrc_Codes GEOFLOWparm_check(GEOFLOWparm *thee)
Consistency check for parameter values stored in object.
Definition
geoflowparm.c:101
GEOFLOWparm_ctor2
VEXTERNC Vrc_Codes GEOFLOWparm_ctor2(GEOFLOWparm *thee, GEOFLOWparm_CalcType type)
FORTRAN stub to construct GEOFLOWparm object ?????????!!!!!!!
Definition
geoflowparm.c:77
GFCT_AUTO
@ GFCT_AUTO
Definition
geoflowparm.h:80
sGEOFLOWparm
Parameter structure for GEOFLOW-specific variables from input files.
Definition
geoflowparm.h:98
sGEOFLOWparm::parsed
int parsed
Definition
geoflowparm.h:101
sGEOFLOWparm::type
GEOFLOWparm_CalcType type
Definition
geoflowparm.h:100
sGEOFLOWparm::etol
double etol
Definition
geoflowparm.h:106
vhal.h
Contains generic macro definitions for APBS.
vstring.h
Contains declarations for class Vstring.
src
generic
geoflowparm.h
Generated on
for APBS by
1.17.0