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root/OpenMD/trunk/src/applications/dynamicProps/DynamicPropsCmd.h
Revision: 2003
Committed: Sun Jun 1 19:28:44 2014 UTC (10 years, 11 months ago) by gezelter
Content type: text/plain
File size: 11373 byte(s)
Log Message: 
Added Frequency Fluctuation Correlation Function

File Contents

# 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     const char *dcorr_help; /**< @brief dipole correlation function help description. */
67     const char *lcorr_help; /**< @brief Lengendre correlation function help description. */
68 gezelter 1915 const char *lcorrZ_help; /**< @brief Lengendre correlation function binned by Z help description. */
69 gezelter 1934 const char *cohZ_help; /**< @brief Lengendre correlation function for OH bond vectors binned by Z help description. */
70 jmichalk 1604 const char *sdcorr_help; /**< @brief System dipole correlation function help description. */
71 chuckv 1565 const char *r_rcorr_help; /**< @brief Radial rmsd help description. */
72     const char *thetacorr_help; /**< @brief Angular rmsd help description. */
73     const char *drcorr_help; /**< @brief Directional rmsd for particles with unit vectors help description. */
74     const char *helfandEcorr_help; /**< @brief Helfand moment for thermal conductvity help description. */
75 gezelter 1615 const char *momentum_help; /**< @brief Helfand momentum for viscosity help description. */
76 chuckv 1565 const char *stresscorr_help; /**< @brief Stress tensor correlation function help description. */
77 gezelter 1953 const char *bondcorr_help; /**< @brief Bond extension correlation function help description. */
78 gezelter 2003 const char *freqfluccorr_help; /**< @brief Frequency Fluctuation correlation function help description. */
79 chuckv 1098
80 chuckv 1565 unsigned int help_given ; /**< @brief Whether help was given. */
81     unsigned int version_given ; /**< @brief Whether version was given. */
82     unsigned int input_given ; /**< @brief Whether input was given. */
83     unsigned int output_given ; /**< @brief Whether output was given. */
84     unsigned int sele1_given ; /**< @brief Whether sele1 was given. */
85     unsigned int sele2_given ; /**< @brief Whether sele2 was given. */
86     unsigned int order_given ; /**< @brief Whether order was given. */
87 gezelter 1915 unsigned int nzbins_given ; /**< @brief Whether nzbins was given. */
88 gezelter 1596 unsigned int memory_given ; /**< @brief Whether memory was given. */
89 gezelter 1811 unsigned int selecorr_given ; /**< @brief Whether selecorr was given. */
90 chuckv 1565 unsigned int rcorr_given ; /**< @brief Whether rcorr was given. */
91     unsigned int vcorr_given ; /**< @brief Whether vcorr was given. */
92     unsigned int dcorr_given ; /**< @brief Whether dcorr was given. */
93     unsigned int lcorr_given ; /**< @brief Whether lcorr was given. */
94 gezelter 1915 unsigned int lcorrZ_given ; /**< @brief Whether lcorrZ was given. */
95 gezelter 1934 unsigned int cohZ_given ; /**< @brief Whether cohZ was given. */
96 jmichalk 1604 unsigned int sdcorr_given ; /**< @brief Whether sdcorr was given. */
97 chuckv 1565 unsigned int r_rcorr_given ; /**< @brief Whether r_rcorr was given. */
98     unsigned int thetacorr_given ; /**< @brief Whether thetacorr was given. */
99     unsigned int drcorr_given ; /**< @brief Whether drcorr was given. */
100     unsigned int helfandEcorr_given ; /**< @brief Whether helfandEcorr was given. */
101 gezelter 1615 unsigned int momentum_given ; /**< @brief Whether momentum was given. */
102 chuckv 1565 unsigned int stresscorr_given ; /**< @brief Whether stresscorr was given. */
103 gezelter 1953 unsigned int bondcorr_given ; /**< @brief Whether bondcorr was given. */
104 gezelter 2003 unsigned int freqfluccorr_given ; /**< @brief Whether freqfluccorr was given. */
105 tim 320
106 gezelter 1615 char **inputs ; /**< @brief unamed options (options without names) */
107     unsigned inputs_num ; /**< @brief unamed options number */
108 chuckv 1565 int dynamicProps_group_counter; /**< @brief Counter for group dynamicProps */
109 tim 876 } ;
110 tim 320
111 chuckv 1565 /** @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 tim 320
121 chuckv 1565 /** @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 **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 **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 **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 tim 876 void cmdline_parser_print_help(void);
188 chuckv 1565 /**
189     * Print the version
190     */
191 tim 876 void cmdline_parser_print_version(void);
192 tim 320
193 chuckv 1565 /**
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 chuckv 1098 void cmdline_parser_init (struct gengetopt_args_info *args_info);
213 chuckv 1565 /**
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 chuckv 1098 void cmdline_parser_free (struct gengetopt_args_info *args_info);
219    
220 chuckv 1565 /**
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 chuckv 1098
230    
231 tim 320 #ifdef __cplusplus
232     }
233     #endif /* __cplusplus */
234 gezelter 1596 #endif /* DYNAMICPROPSCMD_H */

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