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root/OpenMD/trunk/src/applications/dynamicProps/DynamicPropsCmd.h
Revision: 1915
Committed: Mon Jul 29 17:55:17 2013 UTC (11 years, 9 months ago) by gezelter
Content type: text/plain
File size: 10814 byte(s)
Log Message:
Added Legendre Correlation function (as a function of Z), working on architecture for Ewald
Fixed some bugs in FlucQ


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 jmichalk 1604 const char *sdcorr_help; /**< @brief System dipole correlation function help description. */
70 chuckv 1565 const char *r_rcorr_help; /**< @brief Radial rmsd help description. */
71     const char *thetacorr_help; /**< @brief Angular rmsd help description. */
72     const char *drcorr_help; /**< @brief Directional rmsd for particles with unit vectors help description. */
73     const char *helfandEcorr_help; /**< @brief Helfand moment for thermal conductvity help description. */
74 gezelter 1615 const char *momentum_help; /**< @brief Helfand momentum for viscosity help description. */
75 chuckv 1565 const char *stresscorr_help; /**< @brief Stress tensor correlation function help description. */
76 chuckv 1098
77 chuckv 1565 unsigned int help_given ; /**< @brief Whether help was given. */
78     unsigned int version_given ; /**< @brief Whether version was given. */
79     unsigned int input_given ; /**< @brief Whether input was given. */
80     unsigned int output_given ; /**< @brief Whether output was given. */
81     unsigned int sele1_given ; /**< @brief Whether sele1 was given. */
82     unsigned int sele2_given ; /**< @brief Whether sele2 was given. */
83     unsigned int order_given ; /**< @brief Whether order was given. */
84 gezelter 1915 unsigned int nzbins_given ; /**< @brief Whether nzbins was given. */
85 gezelter 1596 unsigned int memory_given ; /**< @brief Whether memory was given. */
86 gezelter 1811 unsigned int selecorr_given ; /**< @brief Whether selecorr was given. */
87 chuckv 1565 unsigned int rcorr_given ; /**< @brief Whether rcorr was given. */
88     unsigned int vcorr_given ; /**< @brief Whether vcorr was given. */
89     unsigned int dcorr_given ; /**< @brief Whether dcorr was given. */
90     unsigned int lcorr_given ; /**< @brief Whether lcorr was given. */
91 gezelter 1915 unsigned int lcorrZ_given ; /**< @brief Whether lcorrZ was given. */
92 jmichalk 1604 unsigned int sdcorr_given ; /**< @brief Whether sdcorr was given. */
93 chuckv 1565 unsigned int r_rcorr_given ; /**< @brief Whether r_rcorr was given. */
94     unsigned int thetacorr_given ; /**< @brief Whether thetacorr was given. */
95     unsigned int drcorr_given ; /**< @brief Whether drcorr was given. */
96     unsigned int helfandEcorr_given ; /**< @brief Whether helfandEcorr was given. */
97 gezelter 1615 unsigned int momentum_given ; /**< @brief Whether momentum was given. */
98 chuckv 1565 unsigned int stresscorr_given ; /**< @brief Whether stresscorr was given. */
99 tim 320
100 gezelter 1615 char **inputs ; /**< @brief unamed options (options without names) */
101     unsigned inputs_num ; /**< @brief unamed options number */
102 chuckv 1565 int dynamicProps_group_counter; /**< @brief Counter for group dynamicProps */
103 tim 876 } ;
104 tim 320
105 chuckv 1565 /** @brief The additional parameters to pass to parser functions */
106     struct cmdline_parser_params
107     {
108     int override; /**< @brief whether to override possibly already present options (default 0) */
109     int initialize; /**< @brief whether to initialize the option structure gengetopt_args_info (default 1) */
110     int check_required; /**< @brief whether to check that all required options were provided (default 1) */
111     int check_ambiguity; /**< @brief whether to check for options already specified in the option structure gengetopt_args_info (default 0) */
112     int print_errors; /**< @brief whether getopt_long should print an error message for a bad option (default 1) */
113     } ;
114 tim 320
115 chuckv 1565 /** @brief the purpose string of the program */
116     extern const char *gengetopt_args_info_purpose;
117     /** @brief the usage string of the program */
118     extern const char *gengetopt_args_info_usage;
119     /** @brief all the lines making the help output */
120     extern const char *gengetopt_args_info_help[];
121    
122     /**
123     * The command line parser
124     * @param argc the number of command line options
125     * @param argv the command line options
126     * @param args_info the structure where option information will be stored
127     * @return 0 if everything went fine, NON 0 if an error took place
128     */
129     int cmdline_parser (int argc, char **argv,
130     struct gengetopt_args_info *args_info);
131    
132     /**
133     * The command line parser (version with additional parameters - deprecated)
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     * @param override whether to override possibly already present options
138     * @param initialize whether to initialize the option structure my_args_info
139     * @param check_required whether to check that all required options were provided
140     * @return 0 if everything went fine, NON 0 if an error took place
141     * @deprecated use cmdline_parser_ext() instead
142     */
143     int cmdline_parser2 (int argc, char **argv,
144     struct gengetopt_args_info *args_info,
145     int override, int initialize, int check_required);
146    
147     /**
148     * The command line parser (version with additional parameters)
149     * @param argc the number of command line options
150     * @param argv the command line options
151     * @param args_info the structure where option information will be stored
152     * @param params additional parameters for the parser
153     * @return 0 if everything went fine, NON 0 if an error took place
154     */
155     int cmdline_parser_ext (int argc, char **argv,
156     struct gengetopt_args_info *args_info,
157     struct cmdline_parser_params *params);
158    
159     /**
160     * Save the contents of the option struct into an already open FILE stream.
161     * @param outfile the stream where to dump options
162     * @param args_info the option struct to dump
163     * @return 0 if everything went fine, NON 0 if an error took place
164     */
165     int cmdline_parser_dump(FILE *outfile,
166     struct gengetopt_args_info *args_info);
167    
168     /**
169     * Save the contents of the option struct into a (text) file.
170     * This file can be read by the config file parser (if generated by gengetopt)
171     * @param filename the file where to save
172     * @param args_info the option struct to save
173     * @return 0 if everything went fine, NON 0 if an error took place
174     */
175     int cmdline_parser_file_save(const char *filename,
176     struct gengetopt_args_info *args_info);
177    
178     /**
179     * Print the help
180     */
181 tim 876 void cmdline_parser_print_help(void);
182 chuckv 1565 /**
183     * Print the version
184     */
185 tim 876 void cmdline_parser_print_version(void);
186 tim 320
187 chuckv 1565 /**
188     * Initializes all the fields a cmdline_parser_params structure
189     * to their default values
190     * @param params the structure to initialize
191     */
192     void cmdline_parser_params_init(struct cmdline_parser_params *params);
193    
194     /**
195     * Allocates dynamically a cmdline_parser_params structure and initializes
196     * all its fields to their default values
197     * @return the created and initialized cmdline_parser_params structure
198     */
199     struct cmdline_parser_params *cmdline_parser_params_create(void);
200    
201     /**
202     * Initializes the passed gengetopt_args_info structure's fields
203     * (also set default values for options that have a default)
204     * @param args_info the structure to initialize
205     */
206 chuckv 1098 void cmdline_parser_init (struct gengetopt_args_info *args_info);
207 chuckv 1565 /**
208     * Deallocates the string fields of the gengetopt_args_info structure
209     * (but does not deallocate the structure itself)
210     * @param args_info the structure to deallocate
211     */
212 chuckv 1098 void cmdline_parser_free (struct gengetopt_args_info *args_info);
213    
214 chuckv 1565 /**
215     * Checks that all the required options were specified
216     * @param args_info the structure to check
217     * @param prog_name the name of the program that will be used to print
218     * possible errors
219     * @return
220     */
221     int cmdline_parser_required (struct gengetopt_args_info *args_info,
222     const char *prog_name);
223 chuckv 1098
224    
225 tim 320 #ifdef __cplusplus
226     }
227     #endif /* __cplusplus */
228 gezelter 1596 #endif /* DYNAMICPROPSCMD_H */

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