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Comparing trunk/src/applications/dump2Xyz/Dump2XYZCmd.h (file contents):
Revision 302 by tim, Mon Feb 7 21:11:22 2005 UTC vs.
Revision 1456 by gezelter, Fri Jun 25 17:40:24 2010 UTC

#	Line 1 | Line 1
1	<	/* Dump2XYZCmd.h */
1	>	/** @file Dump2XYZCmd.h
2	>	*  @brief The header file for the command line option parser
3	>	*  generated by GNU Gengetopt version 2.22
4	>	*  http://www.gnu.org/software/gengetopt.
5	>	*  DO NOT modify this file, since it can be overwritten
6	>	*  @author GNU Gengetopt by Lorenzo Bettini */
7
3	–	/* File autogenerated by gengetopt version 2.11  */
4	–
8		#ifndef DUMP2XYZCMD_H
9		#define DUMP2XYZCMD_H
10
#	Line 10 | Line 13
13		#include "config.h"
14		#endif
15
16	+	#include <stdio.h> /* for FILE */
17	+
18		#ifdef __cplusplus
19		extern "C" {
20		#endif /* __cplusplus */
21
22		#ifndef CMDLINE_PARSER_PACKAGE
23	+	/** @brief the program name */
24		#define CMDLINE_PARSER_PACKAGE "Dump2XYZ"
25		#endif
26
27		#ifndef CMDLINE_PARSER_VERSION
28	+	/** @brief the program version */
29		#define CMDLINE_PARSER_VERSION "0.99"
30		#endif
31
32	+	/** @brief Where the command line options are stored */
33		struct gengetopt_args_info
34		{
35	<	char * input_arg;     /* input dump file.  */
36	<	char * output_arg;    /* output file name.  */
37	<	int frame_arg;        /* print every n frame (default='1').  */
38	<	int dipole_flag;      /* print the dipole moments (default=off).  */
39	<	int water_flag;       /* skip the the waters (default=off).  */
40	<	int periodicBox_flag; /* map to the periodic box (default=off).  */
41	<	int zconstraint_flag; /* replace the atom types of zconstraint molecules (default=off).  */
42	<	int rigidbody_flag;   /* add a pseudo COM atom to rigidbody (default=off).  */
43	<	int watertype_flag;   /* replace the atom type of water model (default=on).  */
44	<	char ** ignore_arg;   /* ignore the atom types.  */
45	<	char * selection_arg; /* general selection syntax:\n
46	<	select DMPC -- select DMPC molecule\n \
47	<	select DMPC.* -- select all atoms and all rigidbodies belong to DMPC molecule\n \
48	<	select 5 -- select stuntdobule whose global index is 5\n \
49	<	select within (5.0, HDP or PO4) -- select stuntdoubles which is within 5 A to HDP or PO4\n \
50	<	select DMPC.DMPC_RB_*.* --select atoms belong to rigid body inside DMPC molecule .  */
51	<	int repeatX_arg;      /* The number of images to repeat in the x direction (default='0').  */
52	<	int repeatY_arg;      /* The number of images to repeat in the y direction (default='0').  */
53	<	int repeatZ_arg;      /* The number of images to repeat in the z direction (default='0').  */
35	>	const char *help_help; /**< @brief Print help and exit help description.  */
36	>	const char *version_help; /**< @brief Print version and exit help description.  */
37	>	char * input_arg;     /**< @brief input dump file.  */
38	>	char * input_orig;    /**< @brief input dump file original value given at command line.  */
39	>	const char *input_help; /**< @brief input dump file help description.  */
40	>	char * output_arg;    /**< @brief output file name.  */
41	>	char * output_orig;   /**< @brief output file name original value given at command line.  */
42	>	const char *output_help; /**< @brief output file name help description.  */
43	>	int frame_arg;        /**< @brief print every n frame (default='1').  */
44	>	char * frame_orig;    /**< @brief print every n frame original value given at command line.  */
45	>	const char *frame_help; /**< @brief print every n frame help description.  */
46	>	int water_flag;       /**< @brief skip the the waters (default=off).  */
47	>	const char *water_help; /**< @brief skip the the waters help description.  */
48	>	int periodicBox_flag; /**< @brief map to the periodic box (default=off).  */
49	>	const char *periodicBox_help; /**< @brief map to the periodic box help description.  */
50	>	int zconstraint_flag; /**< @brief replace the atom types of zconstraint molecules (default=off).  */
51	>	const char *zconstraint_help; /**< @brief replace the atom types of zconstraint molecules help description.  */
52	>	int rigidbody_flag;   /**< @brief add a pseudo COM atom to rigidbody (default=off).  */
53	>	const char *rigidbody_help; /**< @brief add a pseudo COM atom to rigidbody help description.  */
54	>	int watertype_flag;   /**< @brief replace the atom type of water model (default=on).  */
55	>	const char *watertype_help; /**< @brief replace the atom type of water model help description.  */
56	>	char * selection_arg; /**< @brief general selection syntax.  */
57	>	char * selection_orig;        /**< @brief general selection syntax original value given at command line.  */
58	>	const char *selection_help; /**< @brief general selection syntax help description.  */
59	>	char * originsele_arg;        /**< @brief select origin.  */
60	>	char * originsele_orig;       /**< @brief select origin original value given at command line.  */
61	>	const char *originsele_help; /**< @brief select origin help description.  */
62	>	char * refsele_arg;   /**< @brief select reference.  */
63	>	char * refsele_orig;  /**< @brief select reference original value given at command line.  */
64	>	const char *refsele_help; /**< @brief select reference help description.  */
65	>	int repeatX_arg;      /**< @brief The number of images to repeat in the x direction (default='0').  */
66	>	char * repeatX_orig;  /**< @brief The number of images to repeat in the x direction original value given at command line.  */
67	>	const char *repeatX_help; /**< @brief The number of images to repeat in the x direction help description.  */
68	>	int repeatY_arg;      /**< @brief The number of images to repeat in the y direction (default='0').  */
69	>	char * repeatY_orig;  /**< @brief The number of images to repeat in the y direction original value given at command line.  */
70	>	const char *repeatY_help; /**< @brief The number of images to repeat in the y direction help description.  */
71	>	int repeatZ_arg;      /**< @brief The number of images to repeat in the z direction (default='0').  */
72	>	char * repeatZ_orig;  /**< @brief The number of images to repeat in the z direction original value given at command line.  */
73	>	const char *repeatZ_help; /**< @brief The number of images to repeat in the z direction help description.  */
74	>	int basetype_flag;    /**< @brief Convert to base atom type (default=off).  */
75	>	const char *basetype_help; /**< @brief Convert to base atom type help description.  */
76	>	int velocities_flag;  /**< @brief Print velocities in xyz file (default=off).  */
77	>	const char *velocities_help; /**< @brief Print velocities in xyz file help description.  */
78	>	int forces_flag;      /**< @brief Print forces xyz file (default=off).  */
79	>	const char *forces_help; /**< @brief Print forces xyz file help description.  */
80	>	int vectors_flag;     /**< @brief Print vectors (dipoles, etc) in xyz file (default=off).  */
81	>	const char *vectors_help; /**< @brief Print vectors (dipoles, etc) in xyz file help description.  */
82	>	int charges_flag;     /**< @brief Print charges in xyz file (default=off).  */
83	>	const char *charges_help; /**< @brief Print charges in xyz file help description.  */
84	>
85	>	unsigned int help_given ;     /**< @brief Whether help was given.  */
86	>	unsigned int version_given ;  /**< @brief Whether version was given.  */
87	>	unsigned int input_given ;    /**< @brief Whether input was given.  */
88	>	unsigned int output_given ;   /**< @brief Whether output was given.  */
89	>	unsigned int frame_given ;    /**< @brief Whether frame was given.  */
90	>	unsigned int water_given ;    /**< @brief Whether water was given.  */
91	>	unsigned int periodicBox_given ;      /**< @brief Whether periodicBox was given.  */
92	>	unsigned int zconstraint_given ;      /**< @brief Whether zconstraint was given.  */
93	>	unsigned int rigidbody_given ;        /**< @brief Whether rigidbody was given.  */
94	>	unsigned int watertype_given ;        /**< @brief Whether watertype was given.  */
95	>	unsigned int selection_given ;        /**< @brief Whether selection was given.  */
96	>	unsigned int originsele_given ;       /**< @brief Whether originsele was given.  */
97	>	unsigned int refsele_given ;  /**< @brief Whether refsele was given.  */
98	>	unsigned int repeatX_given ;  /**< @brief Whether repeatX was given.  */
99	>	unsigned int repeatY_given ;  /**< @brief Whether repeatY was given.  */
100	>	unsigned int repeatZ_given ;  /**< @brief Whether repeatZ was given.  */
101	>	unsigned int basetype_given ; /**< @brief Whether basetype was given.  */
102	>	unsigned int velocities_given ;       /**< @brief Whether velocities was given.  */
103	>	unsigned int forces_given ;   /**< @brief Whether forces was given.  */
104	>	unsigned int vectors_given ;  /**< @brief Whether vectors was given.  */
105	>	unsigned int charges_given ;  /**< @brief Whether charges was given.  */
106
107	<	int help_given ;      /* Whether help was given.  */
108	<	int version_given ;   /* Whether version was given.  */
109	<	int input_given ;     /* Whether input was given.  */
50	<	int output_given ;    /* Whether output was given.  */
51	<	int frame_given ;     /* Whether frame was given.  */
52	<	int dipole_given ;    /* Whether dipole was given.  */
53	<	int water_given ;     /* Whether water was given.  */
54	<	int periodicBox_given ;       /* Whether periodicBox was given.  */
55	<	int zconstraint_given ;       /* Whether zconstraint was given.  */
56	<	int rigidbody_given ; /* Whether rigidbody was given.  */
57	<	int watertype_given ; /* Whether watertype was given.  */
58	<	int ignore_given ;    /* Whether ignore was given.  */
59	<	int selection_given ; /* Whether selection was given.  */
60	<	int repeatX_given ;   /* Whether repeatX was given.  */
61	<	int repeatY_given ;   /* Whether repeatY was given.  */
62	<	int repeatZ_given ;   /* Whether repeatZ was given.  */
107	>	char **inputs ; /**< @brief unamed options (options without names) */
108	>	unsigned inputs_num ; /**< @brief unamed options number */
109	>	} ;
110
111	+	/** @brief The additional parameters to pass to parser functions */
112	+	struct cmdline_parser_params
113	+	{
114	+	int override; /**< @brief whether to override possibly already present options (default 0) */
115	+	int initialize; /**< @brief whether to initialize the option structure gengetopt_args_info (default 1) */
116	+	int check_required; /**< @brief whether to check that all required options were provided (default 1) */
117	+	int check_ambiguity; /**< @brief whether to check for options already specified in the option structure gengetopt_args_info (default 0) */
118	+	int print_errors; /**< @brief whether getopt_long should print an error message for a bad option (default 1) */
119		} ;
120
121	<	int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info);
121	>	/** @brief the purpose string of the program */
122	>	extern const char *gengetopt_args_info_purpose;
123	>	/** @brief the usage string of the program */
124	>	extern const char *gengetopt_args_info_usage;
125	>	/** @brief all the lines making the help output */
126	>	extern const char *gengetopt_args_info_help[];
127
128	+	/**
129	+	* The command line parser
130	+	* @param argc the number of command line options
131	+	* @param argv the command line options
132	+	* @param args_info the structure where option information will be stored
133	+	* @return 0 if everything went fine, NON 0 if an error took place
134	+	*/
135	+	int cmdline_parser (int argc, char * const *argv,
136	+	struct gengetopt_args_info *args_info);
137	+
138	+	/**
139	+	* The command line parser (version with additional parameters - deprecated)
140	+	* @param argc the number of command line options
141	+	* @param argv the command line options
142	+	* @param args_info the structure where option information will be stored
143	+	* @param override whether to override possibly already present options
144	+	* @param initialize whether to initialize the option structure my_args_info
145	+	* @param check_required whether to check that all required options were provided
146	+	* @return 0 if everything went fine, NON 0 if an error took place
147	+	* @deprecated use cmdline_parser_ext() instead
148	+	*/
149	+	int cmdline_parser2 (int argc, char * const *argv,
150	+	struct gengetopt_args_info *args_info,
151	+	int override, int initialize, int check_required);
152	+
153	+	/**
154	+	* The command line parser (version with additional parameters)
155	+	* @param argc the number of command line options
156	+	* @param argv the command line options
157	+	* @param args_info the structure where option information will be stored
158	+	* @param params additional parameters for the parser
159	+	* @return 0 if everything went fine, NON 0 if an error took place
160	+	*/
161	+	int cmdline_parser_ext (int argc, char * const *argv,
162	+	struct gengetopt_args_info *args_info,
163	+	struct cmdline_parser_params *params);
164	+
165	+	/**
166	+	* Save the contents of the option struct into an already open FILE stream.
167	+	* @param outfile the stream where to dump options
168	+	* @param args_info the option struct to dump
169	+	* @return 0 if everything went fine, NON 0 if an error took place
170	+	*/
171	+	int cmdline_parser_dump(FILE *outfile,
172	+	struct gengetopt_args_info *args_info);
173	+
174	+	/**
175	+	* Save the contents of the option struct into a (text) file.
176	+	* This file can be read by the config file parser (if generated by gengetopt)
177	+	* @param filename the file where to save
178	+	* @param args_info the option struct to save
179	+	* @return 0 if everything went fine, NON 0 if an error took place
180	+	*/
181	+	int cmdline_parser_file_save(const char *filename,
182	+	struct gengetopt_args_info *args_info);
183	+
184	+	/**
185	+	* Print the help
186	+	*/
187		void cmdline_parser_print_help(void);
188	+	/**
189	+	* Print the version
190	+	*/
191		void cmdline_parser_print_version(void);
192
193	+	/**
194	+	* Initializes all the fields a cmdline_parser_params structure
195	+	* to their default values
196	+	* @param params the structure to initialize
197	+	*/
198	+	void cmdline_parser_params_init(struct cmdline_parser_params *params);
199	+
200	+	/**
201	+	* Allocates dynamically a cmdline_parser_params structure and initializes
202	+	* all its fields to their default values
203	+	* @return the created and initialized cmdline_parser_params structure
204	+	*/
205	+	struct cmdline_parser_params *cmdline_parser_params_create(void);
206	+
207	+	/**
208	+	* Initializes the passed gengetopt_args_info structure's fields
209	+	* (also set default values for options that have a default)
210	+	* @param args_info the structure to initialize
211	+	*/
212	+	void cmdline_parser_init (struct gengetopt_args_info *args_info);
213	+	/**
214	+	* Deallocates the string fields of the gengetopt_args_info structure
215	+	* (but does not deallocate the structure itself)
216	+	* @param args_info the structure to deallocate
217	+	*/
218	+	void cmdline_parser_free (struct gengetopt_args_info *args_info);
219	+
220	+	/**
221	+	* Checks that all the required options were specified
222	+	* @param args_info the structure to check
223	+	* @param prog_name the name of the program that will be used to print
224	+	*   possible errors
225	+	* @return
226	+	*/
227	+	int cmdline_parser_required (struct gengetopt_args_info *args_info,
228	+	const char *prog_name);
229	+
230	+
231		#ifdef __cplusplus
232		}
233		#endif /* __cplusplus */

Comparing trunk/src/applications/dump2Xyz/Dump2XYZCmd.h (property svn:keywords):
Revision 302 by tim, Mon Feb 7 21:11:22 2005 UTC vs.
Revision 1456 by gezelter, Fri Jun 25 17:40:24 2010 UTC

#	Line 0 | Line 1
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