applications/dynamicProps/DynamicPropsCmd.h

/** @file DynamicPropsCmd.h
 *  @brief The header file for the command line option parser
 *  generated by GNU Gengetopt version 2.22.4
 *  http://www.gnu.org/software/gengetopt.
 *  DO NOT modify this file, since it can be overwritten
 *  @author GNU Gengetopt by Lorenzo Bettini */

#ifndef DYNAMICPROPSCMD_H
#define DYNAMICPROPSCMD_H

/* If we use autoconf.  */
#ifdef HAVE_CONFIG_H
#include "config.h"
#endif

#include <stdio.h> /* for FILE */

#ifdef __cplusplus
extern "C" {
#endif /* __cplusplus */

#ifndef CMDLINE_PARSER_PACKAGE
/** @brief the program name (used for printing errors) */
#define CMDLINE_PARSER_PACKAGE "DynamicProps"
#endif

#ifndef CMDLINE_PARSER_PACKAGE_NAME
/** @brief the complete program name (used for help and version) */
#define CMDLINE_PARSER_PACKAGE_NAME "DynamicProps"
#endif

#ifndef CMDLINE_PARSER_VERSION
/** @brief the program version */
#define CMDLINE_PARSER_VERSION "1.00"
#endif

/** @brief Where the command line options are stored */
struct gengetopt_args_info
{
  const char *help_help; /**< @brief Print help and exit help description.  */
  const char *version_help; /**< @brief Print version and exit help description.  */
  char * input_arg;     /**< @brief input dump file.  */
  char * input_orig;    /**< @brief input dump file original value given at command line.  */
  const char *input_help; /**< @brief input dump file help description.  */
  char * output_arg;    /**< @brief output file name.  */
  char * output_orig;   /**< @brief output file name original value given at command line.  */
  const char *output_help; /**< @brief output file name help description.  */
  char * sele1_arg;     /**< @brief select first stuntdouble set.  */
  char * sele1_orig;    /**< @brief select first stuntdouble set original value given at command line.  */
  const char *sele1_help; /**< @brief select first stuntdouble set help description.  */
  char * sele2_arg;     /**< @brief select second stuntdouble set (if sele2 is not set, use script from sele1).  */
  char * sele2_orig;    /**< @brief select second stuntdouble set (if sele2 is not set, use script from sele1) original value given at command line.  */
  const char *sele2_help; /**< @brief select second stuntdouble set (if sele2 is not set, use script from sele1) help description.  */
  int order_arg;        /**< @brief Lengendre Polynomial Order.  */
  char * order_orig;    /**< @brief Lengendre Polynomial Order original value given at command line.  */
  const char *order_help; /**< @brief Lengendre Polynomial Order help description.  */
  int nzbins_arg;       /**< @brief Number of Z bins (default='100').  */
  char * nzbins_orig;   /**< @brief Number of Z bins original value given at command line.  */
  const char *nzbins_help; /**< @brief Number of Z bins help description.  */
  char * memory_arg;    /**< @brief Available memory (defaults to 2G) (default='2G').  */
  char * memory_orig;   /**< @brief Available memory (defaults to 2G) original value given at command line.  */
  const char *memory_help; /**< @brief Available memory (defaults to 2G) help description.  */
  const char *selecorr_help; /**< @brief selection correlation function help description.  */
  const char *rcorr_help; /**< @brief rmsd help description.  */
  const char *vcorr_help; /**< @brief velocity correlation function help description.  */
  const char *vcorrZ_help; /**< @brief velocity correlation function along z-axis help description.  */
  const char *vcorrR_help; /**< @brief velocity correlation function projected radially help description.  */
  const char *dcorr_help; /**< @brief dipole correlation function help description.  */
  const char *lcorr_help; /**< @brief Lengendre correlation function help description.  */
  const char *lcorrZ_help; /**< @brief Lengendre correlation function binned by Z help description.  */
  const char *cohZ_help; /**< @brief Lengendre correlation function for OH bond vectors binned by Z help description.  */
  const char *sdcorr_help; /**< @brief System dipole correlation function help description.  */
  const char *r_rcorr_help; /**< @brief Radial rmsd help description.  */
  const char *thetacorr_help; /**< @brief Angular rmsd help description.  */
  const char *drcorr_help; /**< @brief Directional rmsd for particles with unit vectors help description.  */
  const char *helfandEcorr_help; /**< @brief Helfand moment for thermal conductvity help description.  */
  const char *momentum_help; /**< @brief Helfand momentum for viscosity help description.  */
  const char *stresscorr_help; /**< @brief Stress tensor correlation function help description.  */
  const char *bondcorr_help; /**< @brief Bond extension correlation function help description.  */
  const char *freqfluccorr_help; /**< @brief Frequency Fluctuation correlation function help description.  */
  
  unsigned int help_given ;     /**< @brief Whether help was given.  */
  unsigned int version_given ;  /**< @brief Whether version was given.  */
  unsigned int input_given ;    /**< @brief Whether input was given.  */
  unsigned int output_given ;   /**< @brief Whether output was given.  */
  unsigned int sele1_given ;    /**< @brief Whether sele1 was given.  */
  unsigned int sele2_given ;    /**< @brief Whether sele2 was given.  */
  unsigned int order_given ;    /**< @brief Whether order was given.  */
  unsigned int nzbins_given ;   /**< @brief Whether nzbins was given.  */
  unsigned int memory_given ;   /**< @brief Whether memory was given.  */
  unsigned int selecorr_given ; /**< @brief Whether selecorr was given.  */
  unsigned int rcorr_given ;    /**< @brief Whether rcorr was given.  */
  unsigned int vcorr_given ;    /**< @brief Whether vcorr was given.  */
  unsigned int vcorrZ_given ;   /**< @brief Whether vcorrZ was given.  */
  unsigned int vcorrR_given ;   /**< @brief Whether vcorrR was given.  */
  unsigned int dcorr_given ;    /**< @brief Whether dcorr was given.  */
  unsigned int lcorr_given ;    /**< @brief Whether lcorr was given.  */
  unsigned int lcorrZ_given ;   /**< @brief Whether lcorrZ was given.  */
  unsigned int cohZ_given ;     /**< @brief Whether cohZ was given.  */
  unsigned int sdcorr_given ;   /**< @brief Whether sdcorr was given.  */
  unsigned int r_rcorr_given ;  /**< @brief Whether r_rcorr was given.  */
  unsigned int thetacorr_given ;        /**< @brief Whether thetacorr was given.  */
  unsigned int drcorr_given ;   /**< @brief Whether drcorr was given.  */
  unsigned int helfandEcorr_given ;     /**< @brief Whether helfandEcorr was given.  */
  unsigned int momentum_given ; /**< @brief Whether momentum was given.  */
  unsigned int stresscorr_given ;       /**< @brief Whether stresscorr was given.  */
  unsigned int bondcorr_given ; /**< @brief Whether bondcorr was given.  */
  unsigned int freqfluccorr_given ;     /**< @brief Whether freqfluccorr was given.  */

  char **inputs ; /**< @brief unamed options (options without names) */
  unsigned inputs_num ; /**< @brief unamed options number */
  int dynamicProps_group_counter; /**< @brief Counter for group dynamicProps */
} ;

/** @brief The additional parameters to pass to parser functions */
struct cmdline_parser_params
{
  int override; /**< @brief whether to override possibly already present options (default 0) */
  int initialize; /**< @brief whether to initialize the option structure gengetopt_args_info (default 1) */
  int check_required; /**< @brief whether to check that all required options were provided (default 1) */
  int check_ambiguity; /**< @brief whether to check for options already specified in the option structure gengetopt_args_info (default 0) */
  int print_errors; /**< @brief whether getopt_long should print an error message for a bad option (default 1) */
} ;

/** @brief the purpose string of the program */
extern const char *gengetopt_args_info_purpose;
/** @brief the usage string of the program */
extern const char *gengetopt_args_info_usage;
/** @brief all the lines making the help output */
extern const char *gengetopt_args_info_help[];

/**
 * The command line parser
 * @param argc the number of command line options
 * @param argv the command line options
 * @param args_info the structure where option information will be stored
 * @return 0 if everything went fine, NON 0 if an error took place
 */
int cmdline_parser (int argc, char **argv,
  struct gengetopt_args_info *args_info);

/**
 * The command line parser (version with additional parameters - deprecated)
 * @param argc the number of command line options
 * @param argv the command line options
 * @param args_info the structure where option information will be stored
 * @param override whether to override possibly already present options
 * @param initialize whether to initialize the option structure my_args_info
 * @param check_required whether to check that all required options were provided
 * @return 0 if everything went fine, NON 0 if an error took place
 * @deprecated use cmdline_parser_ext() instead
 */
int cmdline_parser2 (int argc, char **argv,
  struct gengetopt_args_info *args_info,
  int override, int initialize, int check_required);

/**
 * The command line parser (version with additional parameters)
 * @param argc the number of command line options
 * @param argv the command line options
 * @param args_info the structure where option information will be stored
 * @param params additional parameters for the parser
 * @return 0 if everything went fine, NON 0 if an error took place
 */
int cmdline_parser_ext (int argc, char **argv,
  struct gengetopt_args_info *args_info,
  struct cmdline_parser_params *params);

/**
 * Save the contents of the option struct into an already open FILE stream.
 * @param outfile the stream where to dump options
 * @param args_info the option struct to dump
 * @return 0 if everything went fine, NON 0 if an error took place
 */
int cmdline_parser_dump(FILE *outfile,
  struct gengetopt_args_info *args_info);

/**
 * Save the contents of the option struct into a (text) file.
 * This file can be read by the config file parser (if generated by gengetopt)
 * @param filename the file where to save
 * @param args_info the option struct to save
 * @return 0 if everything went fine, NON 0 if an error took place
 */
int cmdline_parser_file_save(const char *filename,
  struct gengetopt_args_info *args_info);

/**
 * Print the help
 */
void cmdline_parser_print_help(void);
/**
 * Print the version
 */
void cmdline_parser_print_version(void);

/**
 * Initializes all the fields a cmdline_parser_params structure 
 * to their default values
 * @param params the structure to initialize
 */
void cmdline_parser_params_init(struct cmdline_parser_params *params);

/**
 * Allocates dynamically a cmdline_parser_params structure and initializes
 * all its fields to their default values
 * @return the created and initialized cmdline_parser_params structure
 */
struct cmdline_parser_params *cmdline_parser_params_create(void);

/**
 * Initializes the passed gengetopt_args_info structure's fields
 * (also set default values for options that have a default)
 * @param args_info the structure to initialize
 */
void cmdline_parser_init (struct gengetopt_args_info *args_info);
/**
 * Deallocates the string fields of the gengetopt_args_info structure
 * (but does not deallocate the structure itself)
 * @param args_info the structure to deallocate
 */
void cmdline_parser_free (struct gengetopt_args_info *args_info);

/**
 * Checks that all the required options were specified
 * @param args_info the structure to check
 * @param prog_name the name of the program that will be used to print
 *   possible errors
 * @return
 */
int cmdline_parser_required (struct gengetopt_args_info *args_info,
  const char *prog_name);


#ifdef __cplusplus
}
#endif /* __cplusplus */
#endif /* DYNAMICPROPSCMD_H */
Revision:	2024
Committed:	Thu Oct 16 19:13:51 2014 UTC (10 years, 6 months ago) by gezelter
Content type:	text/plain
File size:	11731 byte(s)
Log Message:	Added Radial and Z-projected velocity autocorrelation functions Started to add SequentialProps program Mucking about with angular restraint potentials
#	User	Rev	Content
1	gezelter	1596	/** @file DynamicPropsCmd.h
2	chuckv	1565	* @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	tim	320
8	gezelter	1596	#ifndef DYNAMICPROPSCMD_H
9			#define DYNAMICPROPSCMD_H
10	tim	320
11			/* If we use autoconf. */
12			#ifdef HAVE_CONFIG_H
13			#include "config.h"
14			#endif
15
16	chuckv	1565	#include <stdio.h> /* for FILE */
17
18	tim	320	#ifdef __cplusplus
19			extern "C" {
20			#endif /* __cplusplus */
21
22			#ifndef CMDLINE_PARSER_PACKAGE
23	chuckv	1565	/** @brief the program name (used for printing errors) */
24	tim	320	#define CMDLINE_PARSER_PACKAGE "DynamicProps"
25			#endif
26
27	chuckv	1565	#ifndef CMDLINE_PARSER_PACKAGE_NAME
28			/** @brief the complete program name (used for help and version) */
29			#define CMDLINE_PARSER_PACKAGE_NAME "DynamicProps"
30			#endif
31
32	tim	320	#ifndef CMDLINE_PARSER_VERSION
33	chuckv	1565	/** @brief the program version */
34	tim	320	#define CMDLINE_PARSER_VERSION "1.00"
35			#endif
36
37	chuckv	1565	/** @brief Where the command line options are stored */
38	tim	876	struct gengetopt_args_info
39			{
40	chuckv	1565	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			char * sele1_arg; /*< @brief select first stuntdouble set. /
49			char * sele1_orig; /*< @brief select first stuntdouble set original value given at command line. /
50			const char sele1_help; /< @brief select first stuntdouble set help description. /
51			char * sele2_arg; /*< @brief select second stuntdouble set (if sele2 is not set, use script from sele1). /
52			char * sele2_orig; /*< @brief select second stuntdouble set (if sele2 is not set, use script from sele1) original value given at command line. /
53			const char sele2_help; /< @brief select second stuntdouble set (if sele2 is not set, use script from sele1) help description. /
54			int order_arg; /*< @brief Lengendre Polynomial Order. /
55			char * order_orig; /*< @brief Lengendre Polynomial Order original value given at command line. /
56			const char order_help; /< @brief Lengendre Polynomial Order help description. /
57	gezelter	1915	int nzbins_arg; /*< @brief Number of Z bins (default='100'). /
58			char * nzbins_orig; /*< @brief Number of Z bins original value given at command line. /
59			const char nzbins_help; /< @brief Number of Z bins help description. /
60	gezelter	1596	char * memory_arg; /*< @brief Available memory (defaults to 2G) (default='2G'). /
61			char * memory_orig; /*< @brief Available memory (defaults to 2G) original value given at command line. /
62			const char memory_help; /< @brief Available memory (defaults to 2G) help description. /
63	gezelter	1811	const char selecorr_help; /< @brief selection correlation function help description. /
64	chuckv	1565	const char rcorr_help; /< @brief rmsd help description. /
65			const char vcorr_help; /< @brief velocity correlation function help description. /
66	gezelter	2024	const char vcorrZ_help; /< @brief velocity correlation function along z-axis help description. /
67			const char vcorrR_help; /< @brief velocity correlation function projected radially help description. /
68	chuckv	1565	const char dcorr_help; /< @brief dipole correlation function help description. /
69			const char lcorr_help; /< @brief Lengendre correlation function help description. /
70	gezelter	1915	const char lcorrZ_help; /< @brief Lengendre correlation function binned by Z help description. /
71	gezelter	1934	const char cohZ_help; /< @brief Lengendre correlation function for OH bond vectors binned by Z help description. /
72	jmichalk	1604	const char sdcorr_help; /< @brief System dipole correlation function help description. /
73	chuckv	1565	const char r_rcorr_help; /< @brief Radial rmsd help description. /
74			const char thetacorr_help; /< @brief Angular rmsd help description. /
75			const char drcorr_help; /< @brief Directional rmsd for particles with unit vectors help description. /
76			const char helfandEcorr_help; /< @brief Helfand moment for thermal conductvity help description. /
77	gezelter	1615	const char momentum_help; /< @brief Helfand momentum for viscosity help description. /
78	chuckv	1565	const char stresscorr_help; /< @brief Stress tensor correlation function help description. /
79	gezelter	1953	const char bondcorr_help; /< @brief Bond extension correlation function help description. /
80	gezelter	2003	const char freqfluccorr_help; /< @brief Frequency Fluctuation correlation function help description. /
81	chuckv	1098
82	chuckv	1565	unsigned int help_given ; /*< @brief Whether help was given. /
83			unsigned int version_given ; /*< @brief Whether version was given. /
84			unsigned int input_given ; /*< @brief Whether input was given. /
85			unsigned int output_given ; /*< @brief Whether output was given. /
86			unsigned int sele1_given ; /*< @brief Whether sele1 was given. /
87			unsigned int sele2_given ; /*< @brief Whether sele2 was given. /
88			unsigned int order_given ; /*< @brief Whether order was given. /
89	gezelter	1915	unsigned int nzbins_given ; /*< @brief Whether nzbins was given. /
90	gezelter	1596	unsigned int memory_given ; /*< @brief Whether memory was given. /
91	gezelter	1811	unsigned int selecorr_given ; /*< @brief Whether selecorr was given. /
92	chuckv	1565	unsigned int rcorr_given ; /*< @brief Whether rcorr was given. /
93			unsigned int vcorr_given ; /*< @brief Whether vcorr was given. /
94	gezelter	2024	unsigned int vcorrZ_given ; /*< @brief Whether vcorrZ was given. /
95			unsigned int vcorrR_given ; /*< @brief Whether vcorrR was given. /
96	chuckv	1565	unsigned int dcorr_given ; /*< @brief Whether dcorr was given. /
97			unsigned int lcorr_given ; /*< @brief Whether lcorr was given. /
98	gezelter	1915	unsigned int lcorrZ_given ; /*< @brief Whether lcorrZ was given. /
99	gezelter	1934	unsigned int cohZ_given ; /*< @brief Whether cohZ was given. /
100	jmichalk	1604	unsigned int sdcorr_given ; /*< @brief Whether sdcorr was given. /
101	chuckv	1565	unsigned int r_rcorr_given ; /*< @brief Whether r_rcorr was given. /
102			unsigned int thetacorr_given ; /*< @brief Whether thetacorr was given. /
103			unsigned int drcorr_given ; /*< @brief Whether drcorr was given. /
104			unsigned int helfandEcorr_given ; /*< @brief Whether helfandEcorr was given. /
105	gezelter	1615	unsigned int momentum_given ; /*< @brief Whether momentum was given. /
106	chuckv	1565	unsigned int stresscorr_given ; /*< @brief Whether stresscorr was given. /
107	gezelter	1953	unsigned int bondcorr_given ; /*< @brief Whether bondcorr was given. /
108	gezelter	2003	unsigned int freqfluccorr_given ; /*< @brief Whether freqfluccorr was given. /
109	tim	320
110	gezelter	1615	char inputs ; /< @brief unamed options (options without names) */
111			unsigned inputs_num ; /*< @brief unamed options number /
112	chuckv	1565	int dynamicProps_group_counter; /*< @brief Counter for group dynamicProps /
113	tim	876	} ;
114	tim	320
115	chuckv	1565	/** @brief The additional parameters to pass to parser functions */
116			struct cmdline_parser_params
117			{
118			int override; /*< @brief whether to override possibly already present options (default 0) /
119			int initialize; /*< @brief whether to initialize the option structure gengetopt_args_info (default 1) /
120			int check_required; /*< @brief whether to check that all required options were provided (default 1) /
121			int check_ambiguity; /*< @brief whether to check for options already specified in the option structure gengetopt_args_info (default 0) /
122			int print_errors; /*< @brief whether getopt_long should print an error message for a bad option (default 1) /
123			} ;
124	tim	320
125	chuckv	1565	/** @brief the purpose string of the program */
126			extern const char *gengetopt_args_info_purpose;
127			/** @brief the usage string of the program */
128			extern const char *gengetopt_args_info_usage;
129			/** @brief all the lines making the help output */
130			extern const char *gengetopt_args_info_help[];
131
132			/**
133			* The command line parser
134			* @param argc the number of command line options
135			* @param argv the command line options
136			* @param args_info the structure where option information will be stored
137			* @return 0 if everything went fine, NON 0 if an error took place
138			*/
139			int cmdline_parser (int argc, char **argv,
140			struct gengetopt_args_info *args_info);
141
142			/**
143			* The command line parser (version with additional parameters - deprecated)
144			* @param argc the number of command line options
145			* @param argv the command line options
146			* @param args_info the structure where option information will be stored
147			* @param override whether to override possibly already present options
148			* @param initialize whether to initialize the option structure my_args_info
149			* @param check_required whether to check that all required options were provided
150			* @return 0 if everything went fine, NON 0 if an error took place
151			* @deprecated use cmdline_parser_ext() instead
152			*/
153			int cmdline_parser2 (int argc, char **argv,
154			struct gengetopt_args_info *args_info,
155			int override, int initialize, int check_required);
156
157			/**
158			* The command line parser (version with additional parameters)
159			* @param argc the number of command line options
160			* @param argv the command line options
161			* @param args_info the structure where option information will be stored
162			* @param params additional parameters for the parser
163			* @return 0 if everything went fine, NON 0 if an error took place
164			*/
165			int cmdline_parser_ext (int argc, char **argv,
166			struct gengetopt_args_info *args_info,
167			struct cmdline_parser_params *params);
168
169			/**
170			* Save the contents of the option struct into an already open FILE stream.
171			* @param outfile the stream where to dump options
172			* @param args_info the option struct to dump
173			* @return 0 if everything went fine, NON 0 if an error took place
174			*/
175			int cmdline_parser_dump(FILE *outfile,
176			struct gengetopt_args_info *args_info);
177
178			/**
179			* Save the contents of the option struct into a (text) file.
180			* This file can be read by the config file parser (if generated by gengetopt)
181			* @param filename the file where to save
182			* @param args_info the option struct to save
183			* @return 0 if everything went fine, NON 0 if an error took place
184			*/
185			int cmdline_parser_file_save(const char *filename,
186			struct gengetopt_args_info *args_info);
187
188			/**
189			* Print the help
190			*/
191	tim	876	void cmdline_parser_print_help(void);
192	chuckv	1565	/**
193			* Print the version
194			*/
195	tim	876	void cmdline_parser_print_version(void);
196	tim	320
197	chuckv	1565	/**
198			* Initializes all the fields a cmdline_parser_params structure
199			* to their default values
200			* @param params the structure to initialize
201			*/
202			void cmdline_parser_params_init(struct cmdline_parser_params *params);
203
204			/**
205			* Allocates dynamically a cmdline_parser_params structure and initializes
206			* all its fields to their default values
207			* @return the created and initialized cmdline_parser_params structure
208			*/
209			struct cmdline_parser_params *cmdline_parser_params_create(void);
210
211			/**
212			* Initializes the passed gengetopt_args_info structure's fields
213			* (also set default values for options that have a default)
214			* @param args_info the structure to initialize
215			*/
216	chuckv	1098	void cmdline_parser_init (struct gengetopt_args_info *args_info);
217	chuckv	1565	/**
218			* Deallocates the string fields of the gengetopt_args_info structure
219			* (but does not deallocate the structure itself)
220			* @param args_info the structure to deallocate
221			*/
222	chuckv	1098	void cmdline_parser_free (struct gengetopt_args_info *args_info);
223
224	chuckv	1565	/**
225			* Checks that all the required options were specified
226			* @param args_info the structure to check
227			* @param prog_name the name of the program that will be used to print
228			* possible errors
229			* @return
230			*/
231			int cmdline_parser_required (struct gengetopt_args_info *args_info,
232			const char *prog_name);
233	chuckv	1098
234
235	tim	320	#ifdef __cplusplus
236			}
237			#endif /* __cplusplus */
238	gezelter	1596	#endif /* DYNAMICPROPSCMD_H */