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root/OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.h

Comparing trunk/src/applications/staticProps/StaticPropsCmd.h (file contents):
Revision 369 by tim, Fri Feb 18 23:07:32 2005 UTC vs.
Revision 1993 by gezelter, Tue Apr 29 17:32:31 2014 UTC

#	Line 1 | Line 1
1	<	/* StaticPropsCmd.h */
1	>	/** @file StaticPropsCmd.h
2	>	*  @brief The header file for the command line option parser
3	>	*  generated by GNU Gengetopt version 2.22.4
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 STATICPROPSCMD_H
9		#define STATICPROPSCMD_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 (used for printing errors) */
24		#define CMDLINE_PARSER_PACKAGE "StaticProps"
25		#endif
26
27	+	#ifndef CMDLINE_PARSER_PACKAGE_NAME
28	+	/** @brief the complete program name (used for help and version) */
29	+	#define CMDLINE_PARSER_PACKAGE_NAME "StaticProps"
30	+	#endif
31	+
32		#ifndef CMDLINE_PARSER_VERSION
33	+	/** @brief the program version */
34		#define CMDLINE_PARSER_VERSION "1.00"
35		#endif
36
37	+	/** @brief Where the command line options are stored */
38		struct gengetopt_args_info
39		{
40	<	char * input_arg;     /* input dump file.  */
41	<	char * output_arg;    /* output file name.  */
42	<	int step_arg; /* process every n frame (default='1').  */
43	<	int nrbins_arg;       /* number of bins for distance (default='100').  */
44	<	int nanglebins_arg;   /* number of bins for cos(angle) (default='50').  */
45	<	double length_arg;    /* maximum length (Defaults to 1/2 smallest length of first frame).  */
46	<	char * sele1_arg;     /* select first stuntdouble set.  */
47	<	char * sele2_arg;     /* select second stuntdouble set.  */
48	<	char * refsele_arg;   /* select reference (use and only use with --gxyz).  */
40	>	const char *help_help; /**< @brief Print help and exit help description.  */
41	>	const char *version_help; /**< @brief Print version and exit help description.  */
42	>	char * input_arg;     /**< @brief input dump file.  */
43	>	char * input_orig;    /**< @brief input dump file original value given at command line.  */
44	>	const char *input_help; /**< @brief input dump file help description.  */
45	>	char * output_arg;    /**< @brief output file name.  */
46	>	char * output_orig;   /**< @brief output file name original value given at command line.  */
47	>	const char *output_help; /**< @brief output file name help description.  */
48	>	int step_arg; /**< @brief process every n frame (default='1').  */
49	>	char * step_orig;     /**< @brief process every n frame original value given at command line.  */
50	>	const char *step_help; /**< @brief process every n frame help description.  */
51	>	int nbins_arg;        /**< @brief number of bins (general purpose) (default='100').  */
52	>	char * nbins_orig;    /**< @brief number of bins (general purpose) original value given at command line.  */
53	>	const char *nbins_help; /**< @brief number of bins (general purpose) help description.  */
54	>	int nbins_x_arg;      /**< @brief number of bins in x axis (default='100').  */
55	>	char * nbins_x_orig;  /**< @brief number of bins in x axis original value given at command line.  */
56	>	const char *nbins_x_help; /**< @brief number of bins in x axis help description.  */
57	>	int nbins_y_arg;      /**< @brief number of bins in y axis (default='100').  */
58	>	char * nbins_y_orig;  /**< @brief number of bins in y axis original value given at command line.  */
59	>	const char *nbins_y_help; /**< @brief number of bins in y axis help description.  */
60	>	int nbins_z_arg;      /**< @brief number of bins in z axis (default='100').  */
61	>	char * nbins_z_orig;  /**< @brief number of bins in z axis original value given at command line.  */
62	>	const char *nbins_z_help; /**< @brief number of bins in z axis help description.  */
63	>	int nanglebins_arg;   /**< @brief number of bins for cos(angle) (default='50').  */
64	>	char * nanglebins_orig;       /**< @brief number of bins for cos(angle) original value given at command line.  */
65	>	const char *nanglebins_help; /**< @brief number of bins for cos(angle) help description.  */
66	>	double rcut_arg;      /**< @brief cutoff radius (rcut).  */
67	>	char * rcut_orig;     /**< @brief cutoff radius (rcut) original value given at command line.  */
68	>	const char *rcut_help; /**< @brief cutoff radius (rcut) help description.  */
69	>	double dz_arg;        /**< @brief slab width (dz).  */
70	>	char * dz_orig;       /**< @brief slab width (dz) original value given at command line.  */
71	>	const char *dz_help; /**< @brief slab width (dz) help description.  */
72	>	double length_arg;    /**< @brief maximum length (Defaults to 1/2 smallest length of first frame).  */
73	>	char * length_orig;   /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line.  */
74	>	const char *length_help; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) help description.  */
75	>	double zlength_arg;   /**< @brief maximum length (Defaults to 1/2 smallest length of first frame).  */
76	>	char * zlength_orig;  /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line.  */
77	>	const char *zlength_help; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) help description.  */
78	>	double zoffset_arg;   /**< @brief Where to set the zero for the slab_density calculation (default='0').  */
79	>	char * zoffset_orig;  /**< @brief Where to set the zero for the slab_density calculation original value given at command line.  */
80	>	const char *zoffset_help; /**< @brief Where to set the zero for the slab_density calculation help description.  */
81	>	char * sele1_arg;     /**< @brief select the first stuntdouble set.  */
82	>	char * sele1_orig;    /**< @brief select the first stuntdouble set original value given at command line.  */
83	>	const char *sele1_help; /**< @brief select the first stuntdouble set help description.  */
84	>	char * sele2_arg;     /**< @brief select the second stuntdouble set.  */
85	>	char * sele2_orig;    /**< @brief select the second stuntdouble set original value given at command line.  */
86	>	const char *sele2_help; /**< @brief select the second stuntdouble set help description.  */
87	>	char * sele3_arg;     /**< @brief select the third stuntdouble set.  */
88	>	char * sele3_orig;    /**< @brief select the third stuntdouble set original value given at command line.  */
89	>	const char *sele3_help; /**< @brief select the third stuntdouble set help description.  */
90	>	char * refsele_arg;   /**< @brief select reference (use and only use with --gxyz).  */
91	>	char * refsele_orig;  /**< @brief select reference (use and only use with --gxyz) original value given at command line.  */
92	>	const char *refsele_help; /**< @brief select reference (use and only use with --gxyz) help description.  */
93	>	char * comsele_arg;   /**< @brief select stunt doubles for center-of-mass reference point.  */
94	>	char * comsele_orig;  /**< @brief select stunt doubles for center-of-mass reference point original value given at command line.  */
95	>	const char *comsele_help; /**< @brief select stunt doubles for center-of-mass reference point help description.  */
96	>	int seleoffset_arg;   /**< @brief global index offset for a second object (used to define a vector between sites in molecule).  */
97	>	char * seleoffset_orig;       /**< @brief global index offset for a second object (used to define a vector between sites in molecule) original value given at command line.  */
98	>	const char *seleoffset_help; /**< @brief global index offset for a second object (used to define a vector between sites in molecule) help description.  */
99	>	int seleoffset2_arg;  /**< @brief global index offset for a third object (used to define a vector between sites in molecule).  */
100	>	char * seleoffset2_orig;      /**< @brief global index offset for a third object (used to define a vector between sites in molecule) original value given at command line.  */
101	>	const char *seleoffset2_help; /**< @brief global index offset for a third object (used to define a vector between sites in molecule) help description.  */
102	>	char * molname_arg;   /**< @brief molecule name.  */
103	>	char * molname_orig;  /**< @brief molecule name original value given at command line.  */
104	>	const char *molname_help; /**< @brief molecule name help description.  */
105	>	int begin_arg;        /**< @brief begin internal index.  */
106	>	char * begin_orig;    /**< @brief begin internal index original value given at command line.  */
107	>	const char *begin_help; /**< @brief begin internal index help description.  */
108	>	int end_arg;  /**< @brief end internal index.  */
109	>	char * end_orig;      /**< @brief end internal index original value given at command line.  */
110	>	const char *end_help; /**< @brief end internal index help description.  */
111	>	double radius_arg;    /**< @brief nanoparticle radius.  */
112	>	char * radius_orig;   /**< @brief nanoparticle radius original value given at command line.  */
113	>	const char *radius_help; /**< @brief nanoparticle radius help description.  */
114	>	const char *bo_help; /**< @brief bond order parameter (--rcut must be specified) help description.  */
115	>	const char *ior_help; /**< @brief icosahedral bond order parameter as a function of radius (--rcut must be specified) help description.  */
116	>	const char *for_help; /**< @brief FCC bond order parameter as a function of radius (--rcut must be specified) help description.  */
117	>	const char *bad_help; /**< @brief N(theta) bond angle density within (--rcut must be specified) help description.  */
118	>	const char *count_help; /**< @brief count of molecules matching selection criteria (and associated statistics) help description.  */
119	>	const char *gofr_help; /**< @brief g(r) help description.  */
120	>	const char *gofz_help; /**< @brief g(z) help description.  */
121	>	const char *r_theta_help; /**< @brief g(r, cos(theta)) help description.  */
122	>	const char *r_omega_help; /**< @brief g(r, cos(omega)) help description.  */
123	>	const char *r_z_help; /**< @brief g(r, z) help description.  */
124	>	const char *theta_omega_help; /**< @brief g(cos(theta), cos(omega)) help description.  */
125	>	const char *gxyz_help; /**< @brief g(x, y, z) help description.  */
126	>	const char *twodgofr_help; /**< @brief 2D g(r) (Slab width --dz must be specified) help description.  */
127	>	const char *p2_help; /**< @brief p2 order parameter (--sele1 must be specified, --sele2 is optional) help description.  */
128	>	const char *rp2_help; /**< @brief rp2 order parameter (--sele1 and --sele2 must be specified) help description.  */
129	>	const char *scd_help; /**< @brief scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified) help description.  */
130	>	const char *density_help; /**< @brief density plot help description.  */
131	>	const char *slab_density_help; /**< @brief slab density help description.  */
132	>	const char *p_angle_help; /**< @brief p(cos(theta)) (--sele1 must be specified, --sele2 is optional) help description.  */
133	>	const char *hxy_help; /**< @brief hxy help description.  */
134	>	const char *rho_r_help; /**< @brief rho of R help description.  */
135	>	const char *angle_r_help; /**< @brief angle of R help description.  */
136	>	const char *hullvol_help; /**< @brief hull volume of nanoparticle help description.  */
137	>	const char *rodlength_help; /**< @brief length of nanorod help description.  */
138	>	const char *tet_param_help; /**< @brief tetrahedrality order parameter (Qk) help description.  */
139	>	const char *tet_param_z_help; /**< @brief spatially-resolved tetrahedrality order parameter Qk(z) help description.  */
140	>	const char *rnemdz_help; /**< @brief slab-resolved RNEMD statistics (temperature, density, velocity) help description.  */
141	>	const char *rnemdr_help; /**< @brief shell-resolved RNEMD statistics (temperature, density, angular velocity) help description.  */
142	>	const char *rnemdrt_help; /**< @brief shell and angle-resolved RNEMD statistics (temperature, density, angular velocity) help description.  */
143	>	const char *uFreqMap_help; /**< @brief electrostatic potential to frequency map based on the Cho nitrile fits help description.  */
144	>
145	>	unsigned int help_given ;     /**< @brief Whether help was given.  */
146	>	unsigned int version_given ;  /**< @brief Whether version was given.  */
147	>	unsigned int input_given ;    /**< @brief Whether input was given.  */
148	>	unsigned int output_given ;   /**< @brief Whether output was given.  */
149	>	unsigned int step_given ;     /**< @brief Whether step was given.  */
150	>	unsigned int nbins_given ;    /**< @brief Whether nbins was given.  */
151	>	unsigned int nbins_x_given ;  /**< @brief Whether nbins_x was given.  */
152	>	unsigned int nbins_y_given ;  /**< @brief Whether nbins_y was given.  */
153	>	unsigned int nbins_z_given ;  /**< @brief Whether nbins_z was given.  */
154	>	unsigned int nanglebins_given ;       /**< @brief Whether nanglebins was given.  */
155	>	unsigned int rcut_given ;     /**< @brief Whether rcut was given.  */
156	>	unsigned int dz_given ;       /**< @brief Whether dz was given.  */
157	>	unsigned int length_given ;   /**< @brief Whether length was given.  */
158	>	unsigned int zlength_given ;  /**< @brief Whether zlength was given.  */
159	>	unsigned int zoffset_given ;  /**< @brief Whether zoffset was given.  */
160	>	unsigned int sele1_given ;    /**< @brief Whether sele1 was given.  */
161	>	unsigned int sele2_given ;    /**< @brief Whether sele2 was given.  */
162	>	unsigned int sele3_given ;    /**< @brief Whether sele3 was given.  */
163	>	unsigned int refsele_given ;  /**< @brief Whether refsele was given.  */
164	>	unsigned int comsele_given ;  /**< @brief Whether comsele was given.  */
165	>	unsigned int seleoffset_given ;       /**< @brief Whether seleoffset was given.  */
166	>	unsigned int seleoffset2_given ;      /**< @brief Whether seleoffset2 was given.  */
167	>	unsigned int molname_given ;  /**< @brief Whether molname was given.  */
168	>	unsigned int begin_given ;    /**< @brief Whether begin was given.  */
169	>	unsigned int end_given ;      /**< @brief Whether end was given.  */
170	>	unsigned int radius_given ;   /**< @brief Whether radius was given.  */
171	>	unsigned int bo_given ;       /**< @brief Whether bo was given.  */
172	>	unsigned int ior_given ;      /**< @brief Whether ior was given.  */
173	>	unsigned int for_given ;      /**< @brief Whether for was given.  */
174	>	unsigned int bad_given ;      /**< @brief Whether bad was given.  */
175	>	unsigned int count_given ;    /**< @brief Whether count was given.  */
176	>	unsigned int gofr_given ;     /**< @brief Whether gofr was given.  */
177	>	unsigned int gofz_given ;     /**< @brief Whether gofz was given.  */
178	>	unsigned int r_theta_given ;  /**< @brief Whether r_theta was given.  */
179	>	unsigned int r_omega_given ;  /**< @brief Whether r_omega was given.  */
180	>	unsigned int r_z_given ;      /**< @brief Whether r_z was given.  */
181	>	unsigned int theta_omega_given ;      /**< @brief Whether theta_omega was given.  */
182	>	unsigned int gxyz_given ;     /**< @brief Whether gxyz was given.  */
183	>	unsigned int twodgofr_given ; /**< @brief Whether twodgofr was given.  */
184	>	unsigned int p2_given ;       /**< @brief Whether p2 was given.  */
185	>	unsigned int rp2_given ;      /**< @brief Whether rp2 was given.  */
186	>	unsigned int scd_given ;      /**< @brief Whether scd was given.  */
187	>	unsigned int density_given ;  /**< @brief Whether density was given.  */
188	>	unsigned int slab_density_given ;     /**< @brief Whether slab_density was given.  */
189	>	unsigned int p_angle_given ;  /**< @brief Whether p_angle was given.  */
190	>	unsigned int hxy_given ;      /**< @brief Whether hxy was given.  */
191	>	unsigned int rho_r_given ;    /**< @brief Whether rho_r was given.  */
192	>	unsigned int angle_r_given ;  /**< @brief Whether angle_r was given.  */
193	>	unsigned int hullvol_given ;  /**< @brief Whether hullvol was given.  */
194	>	unsigned int rodlength_given ;        /**< @brief Whether rodlength was given.  */
195	>	unsigned int tet_param_given ;        /**< @brief Whether tet_param was given.  */
196	>	unsigned int tet_param_z_given ;      /**< @brief Whether tet_param_z was given.  */
197	>	unsigned int rnemdz_given ;   /**< @brief Whether rnemdz was given.  */
198	>	unsigned int rnemdr_given ;   /**< @brief Whether rnemdr was given.  */
199	>	unsigned int rnemdrt_given ;  /**< @brief Whether rnemdrt was given.  */
200	>	unsigned int uFreqMap_given ; /**< @brief Whether uFreqMap was given.  */
201
202	<	int help_given ;      /* Whether help was given.  */
203	<	int version_given ;   /* Whether version was given.  */
204	<	int input_given ;     /* Whether input was given.  */
205	<	int output_given ;    /* Whether output was given.  */
41	<	int step_given ;      /* Whether step was given.  */
42	<	int nrbins_given ;    /* Whether nrbins was given.  */
43	<	int nanglebins_given ;        /* Whether nanglebins was given.  */
44	<	int length_given ;    /* Whether length was given.  */
45	<	int sele1_given ;     /* Whether sele1 was given.  */
46	<	int sele2_given ;     /* Whether sele2 was given.  */
47	<	int refsele_given ;   /* Whether refsele was given.  */
48	<	int gofr_given ;      /* Whether gofr was given.  */
49	<	int r_theta_given ;   /* Whether r_theta was given.  */
50	<	int r_omega_given ;   /* Whether r_omega was given.  */
51	<	int theta_omega_given ;       /* Whether theta_omega was given.  */
52	<	int gxyz_given ;      /* Whether gxyz was given.  */
202	>	char **inputs ; /**< @brief unamed options (options without names) */
203	>	unsigned inputs_num ; /**< @brief unamed options number */
204	>	int staticProps_group_counter; /**< @brief Counter for group staticProps */
205	>	} ;
206
207	+	/** @brief The additional parameters to pass to parser functions */
208	+	struct cmdline_parser_params
209	+	{
210	+	int override; /**< @brief whether to override possibly already present options (default 0) */
211	+	int initialize; /**< @brief whether to initialize the option structure gengetopt_args_info (default 1) */
212	+	int check_required; /**< @brief whether to check that all required options were provided (default 1) */
213	+	int check_ambiguity; /**< @brief whether to check for options already specified in the option structure gengetopt_args_info (default 0) */
214	+	int print_errors; /**< @brief whether getopt_long should print an error message for a bad option (default 1) */
215		} ;
216
217	<	int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info);
217	>	/** @brief the purpose string of the program */
218	>	extern const char *gengetopt_args_info_purpose;
219	>	/** @brief the usage string of the program */
220	>	extern const char *gengetopt_args_info_usage;
221	>	/** @brief all the lines making the help output */
222	>	extern const char *gengetopt_args_info_help[];
223
224	+	/**
225	+	* The command line parser
226	+	* @param argc the number of command line options
227	+	* @param argv the command line options
228	+	* @param args_info the structure where option information will be stored
229	+	* @return 0 if everything went fine, NON 0 if an error took place
230	+	*/
231	+	int cmdline_parser (int argc, char **argv,
232	+	struct gengetopt_args_info *args_info);
233	+
234	+	/**
235	+	* The command line parser (version with additional parameters - deprecated)
236	+	* @param argc the number of command line options
237	+	* @param argv the command line options
238	+	* @param args_info the structure where option information will be stored
239	+	* @param override whether to override possibly already present options
240	+	* @param initialize whether to initialize the option structure my_args_info
241	+	* @param check_required whether to check that all required options were provided
242	+	* @return 0 if everything went fine, NON 0 if an error took place
243	+	* @deprecated use cmdline_parser_ext() instead
244	+	*/
245	+	int cmdline_parser2 (int argc, char **argv,
246	+	struct gengetopt_args_info *args_info,
247	+	int override, int initialize, int check_required);
248	+
249	+	/**
250	+	* The command line parser (version with additional parameters)
251	+	* @param argc the number of command line options
252	+	* @param argv the command line options
253	+	* @param args_info the structure where option information will be stored
254	+	* @param params additional parameters for the parser
255	+	* @return 0 if everything went fine, NON 0 if an error took place
256	+	*/
257	+	int cmdline_parser_ext (int argc, char **argv,
258	+	struct gengetopt_args_info *args_info,
259	+	struct cmdline_parser_params *params);
260	+
261	+	/**
262	+	* Save the contents of the option struct into an already open FILE stream.
263	+	* @param outfile the stream where to dump options
264	+	* @param args_info the option struct to dump
265	+	* @return 0 if everything went fine, NON 0 if an error took place
266	+	*/
267	+	int cmdline_parser_dump(FILE *outfile,
268	+	struct gengetopt_args_info *args_info);
269	+
270	+	/**
271	+	* Save the contents of the option struct into a (text) file.
272	+	* This file can be read by the config file parser (if generated by gengetopt)
273	+	* @param filename the file where to save
274	+	* @param args_info the option struct to save
275	+	* @return 0 if everything went fine, NON 0 if an error took place
276	+	*/
277	+	int cmdline_parser_file_save(const char *filename,
278	+	struct gengetopt_args_info *args_info);
279	+
280	+	/**
281	+	* Print the help
282	+	*/
283		void cmdline_parser_print_help(void);
284	+	/**
285	+	* Print the version
286	+	*/
287		void cmdline_parser_print_version(void);
288
289	+	/**
290	+	* Initializes all the fields a cmdline_parser_params structure
291	+	* to their default values
292	+	* @param params the structure to initialize
293	+	*/
294	+	void cmdline_parser_params_init(struct cmdline_parser_params *params);
295	+
296	+	/**
297	+	* Allocates dynamically a cmdline_parser_params structure and initializes
298	+	* all its fields to their default values
299	+	* @return the created and initialized cmdline_parser_params structure
300	+	*/
301	+	struct cmdline_parser_params *cmdline_parser_params_create(void);
302	+
303	+	/**
304	+	* Initializes the passed gengetopt_args_info structure's fields
305	+	* (also set default values for options that have a default)
306	+	* @param args_info the structure to initialize
307	+	*/
308	+	void cmdline_parser_init (struct gengetopt_args_info *args_info);
309	+	/**
310	+	* Deallocates the string fields of the gengetopt_args_info structure
311	+	* (but does not deallocate the structure itself)
312	+	* @param args_info the structure to deallocate
313	+	*/
314	+	void cmdline_parser_free (struct gengetopt_args_info *args_info);
315	+
316	+	/**
317	+	* Checks that all the required options were specified
318	+	* @param args_info the structure to check
319	+	* @param prog_name the name of the program that will be used to print
320	+	*   possible errors
321	+	* @return
322	+	*/
323	+	int cmdline_parser_required (struct gengetopt_args_info *args_info,
324	+	const char *prog_name);
325	+
326	+
327		#ifdef __cplusplus
328		}
329		#endif /* __cplusplus */

Comparing trunk/src/applications/staticProps/StaticPropsCmd.h (property svn:keywords):
Revision 369 by tim, Fri Feb 18 23:07:32 2005 UTC vs.
Revision 1993 by gezelter, Tue Apr 29 17:32:31 2014 UTC

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