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root/OpenMD/trunk/src/applications/dynamicProps/DynamicPropsCmd.h
Revision: 1615
Committed: Fri Aug 26 17:55:44 2011 UTC (13 years, 8 months ago) by gezelter
Content type: text/plain
File size: 10157 byte(s)
Log Message:
Added Momentum correlation function, imported changes from Vector from
development branch, updated comments in some integrators

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 1596 char * memory_arg; /**< @brief Available memory (defaults to 2G) (default='2G'). */
58     char * memory_orig; /**< @brief Available memory (defaults to 2G) original value given at command line. */
59     const char *memory_help; /**< @brief Available memory (defaults to 2G) help description. */
60 chuckv 1565 const char *rcorr_help; /**< @brief rmsd help description. */
61     const char *vcorr_help; /**< @brief velocity correlation function help description. */
62     const char *dcorr_help; /**< @brief dipole correlation function help description. */
63     const char *lcorr_help; /**< @brief Lengendre correlation function help description. */
64 jmichalk 1604 const char *sdcorr_help; /**< @brief System dipole correlation function help description. */
65 chuckv 1565 const char *r_rcorr_help; /**< @brief Radial rmsd help description. */
66     const char *thetacorr_help; /**< @brief Angular rmsd help description. */
67     const char *drcorr_help; /**< @brief Directional rmsd for particles with unit vectors help description. */
68     const char *helfandEcorr_help; /**< @brief Helfand moment for thermal conductvity help description. */
69 gezelter 1615 const char *momentum_help; /**< @brief Helfand momentum for viscosity help description. */
70 chuckv 1565 const char *stresscorr_help; /**< @brief Stress tensor correlation function help description. */
71 chuckv 1098
72 chuckv 1565 unsigned int help_given ; /**< @brief Whether help was given. */
73     unsigned int version_given ; /**< @brief Whether version was given. */
74     unsigned int input_given ; /**< @brief Whether input was given. */
75     unsigned int output_given ; /**< @brief Whether output was given. */
76     unsigned int sele1_given ; /**< @brief Whether sele1 was given. */
77     unsigned int sele2_given ; /**< @brief Whether sele2 was given. */
78     unsigned int order_given ; /**< @brief Whether order was given. */
79 gezelter 1596 unsigned int memory_given ; /**< @brief Whether memory was given. */
80 chuckv 1565 unsigned int rcorr_given ; /**< @brief Whether rcorr was given. */
81     unsigned int vcorr_given ; /**< @brief Whether vcorr was given. */
82     unsigned int dcorr_given ; /**< @brief Whether dcorr was given. */
83     unsigned int lcorr_given ; /**< @brief Whether lcorr was given. */
84 jmichalk 1604 unsigned int sdcorr_given ; /**< @brief Whether sdcorr was given. */
85 chuckv 1565 unsigned int r_rcorr_given ; /**< @brief Whether r_rcorr was given. */
86     unsigned int thetacorr_given ; /**< @brief Whether thetacorr was given. */
87     unsigned int drcorr_given ; /**< @brief Whether drcorr was given. */
88     unsigned int helfandEcorr_given ; /**< @brief Whether helfandEcorr was given. */
89 gezelter 1615 unsigned int momentum_given ; /**< @brief Whether momentum was given. */
90 chuckv 1565 unsigned int stresscorr_given ; /**< @brief Whether stresscorr was given. */
91 tim 320
92 gezelter 1615 char **inputs ; /**< @brief unamed options (options without names) */
93     unsigned inputs_num ; /**< @brief unamed options number */
94 chuckv 1565 int dynamicProps_group_counter; /**< @brief Counter for group dynamicProps */
95 tim 876 } ;
96 tim 320
97 chuckv 1565 /** @brief The additional parameters to pass to parser functions */
98     struct cmdline_parser_params
99     {
100     int override; /**< @brief whether to override possibly already present options (default 0) */
101     int initialize; /**< @brief whether to initialize the option structure gengetopt_args_info (default 1) */
102     int check_required; /**< @brief whether to check that all required options were provided (default 1) */
103     int check_ambiguity; /**< @brief whether to check for options already specified in the option structure gengetopt_args_info (default 0) */
104     int print_errors; /**< @brief whether getopt_long should print an error message for a bad option (default 1) */
105     } ;
106 tim 320
107 chuckv 1565 /** @brief the purpose string of the program */
108     extern const char *gengetopt_args_info_purpose;
109     /** @brief the usage string of the program */
110     extern const char *gengetopt_args_info_usage;
111     /** @brief all the lines making the help output */
112     extern const char *gengetopt_args_info_help[];
113    
114     /**
115     * The command line parser
116     * @param argc the number of command line options
117     * @param argv the command line options
118     * @param args_info the structure where option information will be stored
119     * @return 0 if everything went fine, NON 0 if an error took place
120     */
121     int cmdline_parser (int argc, char **argv,
122     struct gengetopt_args_info *args_info);
123    
124     /**
125     * The command line parser (version with additional parameters - deprecated)
126     * @param argc the number of command line options
127     * @param argv the command line options
128     * @param args_info the structure where option information will be stored
129     * @param override whether to override possibly already present options
130     * @param initialize whether to initialize the option structure my_args_info
131     * @param check_required whether to check that all required options were provided
132     * @return 0 if everything went fine, NON 0 if an error took place
133     * @deprecated use cmdline_parser_ext() instead
134     */
135     int cmdline_parser2 (int argc, char **argv,
136     struct gengetopt_args_info *args_info,
137     int override, int initialize, int check_required);
138    
139     /**
140     * The command line parser (version with additional parameters)
141     * @param argc the number of command line options
142     * @param argv the command line options
143     * @param args_info the structure where option information will be stored
144     * @param params additional parameters for the parser
145     * @return 0 if everything went fine, NON 0 if an error took place
146     */
147     int cmdline_parser_ext (int argc, char **argv,
148     struct gengetopt_args_info *args_info,
149     struct cmdline_parser_params *params);
150    
151     /**
152     * Save the contents of the option struct into an already open FILE stream.
153     * @param outfile the stream where to dump options
154     * @param args_info the option struct to dump
155     * @return 0 if everything went fine, NON 0 if an error took place
156     */
157     int cmdline_parser_dump(FILE *outfile,
158     struct gengetopt_args_info *args_info);
159    
160     /**
161     * Save the contents of the option struct into a (text) file.
162     * This file can be read by the config file parser (if generated by gengetopt)
163     * @param filename the file where to save
164     * @param args_info the option struct to save
165     * @return 0 if everything went fine, NON 0 if an error took place
166     */
167     int cmdline_parser_file_save(const char *filename,
168     struct gengetopt_args_info *args_info);
169    
170     /**
171     * Print the help
172     */
173 tim 876 void cmdline_parser_print_help(void);
174 chuckv 1565 /**
175     * Print the version
176     */
177 tim 876 void cmdline_parser_print_version(void);
178 tim 320
179 chuckv 1565 /**
180     * Initializes all the fields a cmdline_parser_params structure
181     * to their default values
182     * @param params the structure to initialize
183     */
184     void cmdline_parser_params_init(struct cmdline_parser_params *params);
185    
186     /**
187     * Allocates dynamically a cmdline_parser_params structure and initializes
188     * all its fields to their default values
189     * @return the created and initialized cmdline_parser_params structure
190     */
191     struct cmdline_parser_params *cmdline_parser_params_create(void);
192    
193     /**
194     * Initializes the passed gengetopt_args_info structure's fields
195     * (also set default values for options that have a default)
196     * @param args_info the structure to initialize
197     */
198 chuckv 1098 void cmdline_parser_init (struct gengetopt_args_info *args_info);
199 chuckv 1565 /**
200     * Deallocates the string fields of the gengetopt_args_info structure
201     * (but does not deallocate the structure itself)
202     * @param args_info the structure to deallocate
203     */
204 chuckv 1098 void cmdline_parser_free (struct gengetopt_args_info *args_info);
205    
206 chuckv 1565 /**
207     * Checks that all the required options were specified
208     * @param args_info the structure to check
209     * @param prog_name the name of the program that will be used to print
210     * possible errors
211     * @return
212     */
213     int cmdline_parser_required (struct gengetopt_args_info *args_info,
214     const char *prog_name);
215 chuckv 1098
216    
217 tim 320 #ifdef __cplusplus
218     }
219     #endif /* __cplusplus */
220 gezelter 1596 #endif /* DYNAMICPROPSCMD_H */

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