| 1 |
tim |
302 |
/* Dump2XYZCmd.h */ |
| 2 |
tim |
12 |
|
| 3 |
|
|
/* File autogenerated by gengetopt version 2.11 */ |
| 4 |
|
|
|
| 5 |
tim |
302 |
#ifndef DUMP2XYZCMD_H |
| 6 |
|
|
#define DUMP2XYZCMD_H |
| 7 |
tim |
12 |
|
| 8 |
|
|
/* If we use autoconf. */ |
| 9 |
|
|
#ifdef HAVE_CONFIG_H |
| 10 |
|
|
#include "config.h" |
| 11 |
|
|
#endif |
| 12 |
|
|
|
| 13 |
|
|
#ifdef __cplusplus |
| 14 |
|
|
extern "C" { |
| 15 |
|
|
#endif /* __cplusplus */ |
| 16 |
|
|
|
| 17 |
|
|
#ifndef CMDLINE_PARSER_PACKAGE |
| 18 |
|
|
#define CMDLINE_PARSER_PACKAGE "Dump2XYZ" |
| 19 |
|
|
#endif |
| 20 |
|
|
|
| 21 |
|
|
#ifndef CMDLINE_PARSER_VERSION |
| 22 |
|
|
#define CMDLINE_PARSER_VERSION "0.99" |
| 23 |
|
|
#endif |
| 24 |
|
|
|
| 25 |
tim |
543 |
struct gengetopt_args_info |
| 26 |
|
|
{ |
| 27 |
|
|
char * input_arg; /* input dump file. */ |
| 28 |
|
|
char * output_arg; /* output file name. */ |
| 29 |
|
|
int frame_arg; /* print every n frame (default='1'). */ |
| 30 |
|
|
int water_flag; /* skip the the waters (default=off). */ |
| 31 |
|
|
int periodicBox_flag; /* map to the periodic box (default=off). */ |
| 32 |
|
|
int zconstraint_flag; /* replace the atom types of zconstraint molecules (default=off). */ |
| 33 |
|
|
int rigidbody_flag; /* add a pseudo COM atom to rigidbody (default=off). */ |
| 34 |
|
|
int watertype_flag; /* replace the atom type of water model (default=on). */ |
| 35 |
|
|
char * selection_arg; /* general selection syntax. */ |
| 36 |
|
|
char * originsele_arg; /* select origin. */ |
| 37 |
|
|
char * refsele_arg; /* select reference. */ |
| 38 |
|
|
int repeatX_arg; /* The number of images to repeat in the x direction (default='0'). */ |
| 39 |
|
|
int repeatY_arg; /* The number of images to repeat in the y direction (default='0'). */ |
| 40 |
|
|
int repeatZ_arg; /* The number of images to repeat in the z direction (default='0'). */ |
| 41 |
tim |
954 |
char * gb_arg; /* Replace the Gay-Berne atom with four linear atoms. */ |
| 42 |
|
|
int basetype_flag; /* Convert to base atom type (default=off). */ |
| 43 |
tim |
12 |
|
| 44 |
tim |
543 |
int help_given ; /* Whether help was given. */ |
| 45 |
|
|
int version_given ; /* Whether version was given. */ |
| 46 |
|
|
int input_given ; /* Whether input was given. */ |
| 47 |
|
|
int output_given ; /* Whether output was given. */ |
| 48 |
|
|
int frame_given ; /* Whether frame was given. */ |
| 49 |
|
|
int water_given ; /* Whether water was given. */ |
| 50 |
|
|
int periodicBox_given ; /* Whether periodicBox was given. */ |
| 51 |
|
|
int zconstraint_given ; /* Whether zconstraint was given. */ |
| 52 |
|
|
int rigidbody_given ; /* Whether rigidbody was given. */ |
| 53 |
|
|
int watertype_given ; /* Whether watertype was given. */ |
| 54 |
|
|
int selection_given ; /* Whether selection was given. */ |
| 55 |
|
|
int originsele_given ; /* Whether originsele was given. */ |
| 56 |
|
|
int refsele_given ; /* Whether refsele was given. */ |
| 57 |
|
|
int repeatX_given ; /* Whether repeatX was given. */ |
| 58 |
|
|
int repeatY_given ; /* Whether repeatY was given. */ |
| 59 |
|
|
int repeatZ_given ; /* Whether repeatZ was given. */ |
| 60 |
tim |
954 |
int gb_given ; /* Whether gb was given. */ |
| 61 |
|
|
int basetype_given ; /* Whether basetype was given. */ |
| 62 |
tim |
12 |
|
| 63 |
tim |
543 |
} ; |
| 64 |
tim |
12 |
|
| 65 |
tim |
543 |
int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); |
| 66 |
tim |
12 |
|
| 67 |
tim |
543 |
void cmdline_parser_print_help(void); |
| 68 |
|
|
void cmdline_parser_print_version(void); |
| 69 |
tim |
12 |
|
| 70 |
|
|
#ifdef __cplusplus |
| 71 |
|
|
} |
| 72 |
|
|
#endif /* __cplusplus */ |
| 73 |
tim |
302 |
#endif /* DUMP2XYZCMD_H */ |
