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root/OpenMD/trunk/src/applications/dynamicProps/DynamicPropsCmd.h
Revision: 1604
Committed: Mon Aug 8 18:53:40 2011 UTC (13 years, 8 months ago) by jmichalk
Content type: text/plain
File size: 9854 byte(s)
Log Message:
This commit should allow EADM simulations to be run on the cluster. Main additions include EADM_FF.hpp/cpp as well as a system dipole correlation option in DynamicProps.

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     const char *stresscorr_help; /**< @brief Stress tensor correlation function help description. */
70 chuckv 1098
71 chuckv 1565 unsigned int help_given ; /**< @brief Whether help was given. */
72     unsigned int version_given ; /**< @brief Whether version was given. */
73     unsigned int input_given ; /**< @brief Whether input was given. */
74     unsigned int output_given ; /**< @brief Whether output was given. */
75     unsigned int sele1_given ; /**< @brief Whether sele1 was given. */
76     unsigned int sele2_given ; /**< @brief Whether sele2 was given. */
77     unsigned int order_given ; /**< @brief Whether order was given. */
78 gezelter 1596 unsigned int memory_given ; /**< @brief Whether memory was given. */
79 chuckv 1565 unsigned int rcorr_given ; /**< @brief Whether rcorr was given. */
80     unsigned int vcorr_given ; /**< @brief Whether vcorr was given. */
81     unsigned int dcorr_given ; /**< @brief Whether dcorr was given. */
82     unsigned int lcorr_given ; /**< @brief Whether lcorr was given. */
83 jmichalk 1604 unsigned int sdcorr_given ; /**< @brief Whether sdcorr was given. */
84 chuckv 1565 unsigned int r_rcorr_given ; /**< @brief Whether r_rcorr was given. */
85     unsigned int thetacorr_given ; /**< @brief Whether thetacorr was given. */
86     unsigned int drcorr_given ; /**< @brief Whether drcorr was given. */
87     unsigned int helfandEcorr_given ; /**< @brief Whether helfandEcorr was given. */
88     unsigned int stresscorr_given ; /**< @brief Whether stresscorr was given. */
89 tim 320
90 chuckv 1565 int dynamicProps_group_counter; /**< @brief Counter for group dynamicProps */
91 tim 876 } ;
92 tim 320
93 chuckv 1565 /** @brief The additional parameters to pass to parser functions */
94     struct cmdline_parser_params
95     {
96     int override; /**< @brief whether to override possibly already present options (default 0) */
97     int initialize; /**< @brief whether to initialize the option structure gengetopt_args_info (default 1) */
98     int check_required; /**< @brief whether to check that all required options were provided (default 1) */
99     int check_ambiguity; /**< @brief whether to check for options already specified in the option structure gengetopt_args_info (default 0) */
100     int print_errors; /**< @brief whether getopt_long should print an error message for a bad option (default 1) */
101     } ;
102 tim 320
103 chuckv 1565 /** @brief the purpose string of the program */
104     extern const char *gengetopt_args_info_purpose;
105     /** @brief the usage string of the program */
106     extern const char *gengetopt_args_info_usage;
107     /** @brief all the lines making the help output */
108     extern const char *gengetopt_args_info_help[];
109    
110     /**
111     * The command line parser
112     * @param argc the number of command line options
113     * @param argv the command line options
114     * @param args_info the structure where option information will be stored
115     * @return 0 if everything went fine, NON 0 if an error took place
116     */
117     int cmdline_parser (int argc, char **argv,
118     struct gengetopt_args_info *args_info);
119    
120     /**
121     * The command line parser (version with additional parameters - deprecated)
122     * @param argc the number of command line options
123     * @param argv the command line options
124     * @param args_info the structure where option information will be stored
125     * @param override whether to override possibly already present options
126     * @param initialize whether to initialize the option structure my_args_info
127     * @param check_required whether to check that all required options were provided
128     * @return 0 if everything went fine, NON 0 if an error took place
129     * @deprecated use cmdline_parser_ext() instead
130     */
131     int cmdline_parser2 (int argc, char **argv,
132     struct gengetopt_args_info *args_info,
133     int override, int initialize, int check_required);
134    
135     /**
136     * The command line parser (version with additional parameters)
137     * @param argc the number of command line options
138     * @param argv the command line options
139     * @param args_info the structure where option information will be stored
140     * @param params additional parameters for the parser
141     * @return 0 if everything went fine, NON 0 if an error took place
142     */
143     int cmdline_parser_ext (int argc, char **argv,
144     struct gengetopt_args_info *args_info,
145     struct cmdline_parser_params *params);
146    
147     /**
148     * Save the contents of the option struct into an already open FILE stream.
149     * @param outfile the stream where to dump options
150     * @param args_info the option struct to dump
151     * @return 0 if everything went fine, NON 0 if an error took place
152     */
153     int cmdline_parser_dump(FILE *outfile,
154     struct gengetopt_args_info *args_info);
155    
156     /**
157     * Save the contents of the option struct into a (text) file.
158     * This file can be read by the config file parser (if generated by gengetopt)
159     * @param filename the file where to save
160     * @param args_info the option struct to save
161     * @return 0 if everything went fine, NON 0 if an error took place
162     */
163     int cmdline_parser_file_save(const char *filename,
164     struct gengetopt_args_info *args_info);
165    
166     /**
167     * Print the help
168     */
169 tim 876 void cmdline_parser_print_help(void);
170 chuckv 1565 /**
171     * Print the version
172     */
173 tim 876 void cmdline_parser_print_version(void);
174 tim 320
175 chuckv 1565 /**
176     * Initializes all the fields a cmdline_parser_params structure
177     * to their default values
178     * @param params the structure to initialize
179     */
180     void cmdline_parser_params_init(struct cmdline_parser_params *params);
181    
182     /**
183     * Allocates dynamically a cmdline_parser_params structure and initializes
184     * all its fields to their default values
185     * @return the created and initialized cmdline_parser_params structure
186     */
187     struct cmdline_parser_params *cmdline_parser_params_create(void);
188    
189     /**
190     * Initializes the passed gengetopt_args_info structure's fields
191     * (also set default values for options that have a default)
192     * @param args_info the structure to initialize
193     */
194 chuckv 1098 void cmdline_parser_init (struct gengetopt_args_info *args_info);
195 chuckv 1565 /**
196     * Deallocates the string fields of the gengetopt_args_info structure
197     * (but does not deallocate the structure itself)
198     * @param args_info the structure to deallocate
199     */
200 chuckv 1098 void cmdline_parser_free (struct gengetopt_args_info *args_info);
201    
202 chuckv 1565 /**
203     * Checks that all the required options were specified
204     * @param args_info the structure to check
205     * @param prog_name the name of the program that will be used to print
206     * possible errors
207     * @return
208     */
209     int cmdline_parser_required (struct gengetopt_args_info *args_info,
210     const char *prog_name);
211 chuckv 1098
212    
213 tim 320 #ifdef __cplusplus
214     }
215     #endif /* __cplusplus */
216 gezelter 1596 #endif /* DYNAMICPROPSCMD_H */

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