| 1 |
|
/* Dump2XYZCmd.h */ |
| 2 |
|
|
| 3 |
< |
/* File autogenerated by gengetopt version 2.11 */ |
| 3 |
> |
/* File autogenerated by gengetopt version 2.15 */ |
| 4 |
|
|
| 5 |
|
#ifndef DUMP2XYZCMD_H |
| 6 |
|
#define DUMP2XYZCMD_H |
| 25 |
|
struct gengetopt_args_info |
| 26 |
|
{ |
| 27 |
|
char * input_arg; /* input dump file. */ |
| 28 |
+ |
char * input_orig; /* input dump file original value given at command line. */ |
| 29 |
|
char * output_arg; /* output file name. */ |
| 30 |
+ |
char * output_orig; /* output file name original value given at command line. */ |
| 31 |
|
int frame_arg; /* print every n frame (default='1'). */ |
| 32 |
< |
int dipole_flag; /* print the dipole moments (default=off). */ |
| 32 |
> |
char * frame_orig; /* print every n frame original value given at command line. */ |
| 33 |
|
int water_flag; /* skip the the waters (default=off). */ |
| 34 |
|
int periodicBox_flag; /* map to the periodic box (default=off). */ |
| 35 |
|
int zconstraint_flag; /* replace the atom types of zconstraint molecules (default=off). */ |
| 36 |
|
int rigidbody_flag; /* add a pseudo COM atom to rigidbody (default=off). */ |
| 37 |
|
int watertype_flag; /* replace the atom type of water model (default=on). */ |
| 38 |
< |
char ** ignore_arg; /* ignore the atom types. */ |
| 39 |
< |
char * selection_arg; /* general selection syntax:\n |
| 40 |
< |
select DMPC -- select DMPC molecule\n \ |
| 41 |
< |
select DMPC.* -- select all atoms and all rigidbodies belong to DMPC molecule\n \ |
| 42 |
< |
select 5 -- select stuntdobule whose global index is 5\n \ |
| 43 |
< |
select within (5.0, HDP or PO4) -- select stuntdoubles which is within 5 A to HDP or PO4\n \ |
| 42 |
< |
select DMPC.DMPC_RB_*.* --select atoms belong to rigid body inside DMPC molecule . */ |
| 38 |
> |
char * selection_arg; /* general selection syntax. */ |
| 39 |
> |
char * selection_orig; /* general selection syntax original value given at command line. */ |
| 40 |
> |
char * originsele_arg; /* select origin. */ |
| 41 |
> |
char * originsele_orig; /* select origin original value given at command line. */ |
| 42 |
> |
char * refsele_arg; /* select reference. */ |
| 43 |
> |
char * refsele_orig; /* select reference original value given at command line. */ |
| 44 |
|
int repeatX_arg; /* The number of images to repeat in the x direction (default='0'). */ |
| 45 |
+ |
char * repeatX_orig; /* The number of images to repeat in the x direction original value given at command line. */ |
| 46 |
|
int repeatY_arg; /* The number of images to repeat in the y direction (default='0'). */ |
| 47 |
+ |
char * repeatY_orig; /* The number of images to repeat in the y direction original value given at command line. */ |
| 48 |
|
int repeatZ_arg; /* The number of images to repeat in the z direction (default='0'). */ |
| 49 |
< |
|
| 49 |
> |
char * repeatZ_orig; /* The number of images to repeat in the z direction original value given at command line. */ |
| 50 |
> |
char * gb_arg; /* Replace the Gay-Berne atom with four linear atoms. */ |
| 51 |
> |
char * gb_orig; /* Replace the Gay-Berne atom with four linear atoms original value given at command line. */ |
| 52 |
> |
int basetype_flag; /* Convert to base atom type (default=off). */ |
| 53 |
> |
int printPosOnly_flag; /* Print only positions in xyz file (default=off). */ |
| 54 |
> |
|
| 55 |
|
int help_given ; /* Whether help was given. */ |
| 56 |
|
int version_given ; /* Whether version was given. */ |
| 57 |
|
int input_given ; /* Whether input was given. */ |
| 58 |
|
int output_given ; /* Whether output was given. */ |
| 59 |
|
int frame_given ; /* Whether frame was given. */ |
| 52 |
– |
int dipole_given ; /* Whether dipole was given. */ |
| 60 |
|
int water_given ; /* Whether water was given. */ |
| 61 |
|
int periodicBox_given ; /* Whether periodicBox was given. */ |
| 62 |
|
int zconstraint_given ; /* Whether zconstraint was given. */ |
| 63 |
|
int rigidbody_given ; /* Whether rigidbody was given. */ |
| 64 |
|
int watertype_given ; /* Whether watertype was given. */ |
| 58 |
– |
int ignore_given ; /* Whether ignore was given. */ |
| 65 |
|
int selection_given ; /* Whether selection was given. */ |
| 66 |
+ |
int originsele_given ; /* Whether originsele was given. */ |
| 67 |
+ |
int refsele_given ; /* Whether refsele was given. */ |
| 68 |
|
int repeatX_given ; /* Whether repeatX was given. */ |
| 69 |
|
int repeatY_given ; /* Whether repeatY was given. */ |
| 70 |
|
int repeatZ_given ; /* Whether repeatZ was given. */ |
| 71 |
+ |
int gb_given ; /* Whether gb was given. */ |
| 72 |
+ |
int basetype_given ; /* Whether basetype was given. */ |
| 73 |
+ |
int printPosOnly_given ; /* Whether printPosOnly was given. */ |
| 74 |
|
|
| 75 |
|
} ; |
| 76 |
|
|
| 77 |
|
int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); |
| 78 |
+ |
int cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required); |
| 79 |
+ |
int cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info); |
| 80 |
|
|
| 81 |
|
void cmdline_parser_print_help(void); |
| 82 |
|
void cmdline_parser_print_version(void); |
| 83 |
|
|
| 84 |
+ |
void cmdline_parser_init (struct gengetopt_args_info *args_info); |
| 85 |
+ |
void cmdline_parser_free (struct gengetopt_args_info *args_info); |
| 86 |
+ |
|
| 87 |
+ |
int cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name); |
| 88 |
+ |
|
| 89 |
+ |
|
| 90 |
|
#ifdef __cplusplus |
| 91 |
|
} |
| 92 |
|
#endif /* __cplusplus */ |
