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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

# Content
1 /** @file DynamicPropsCmd.h
2 * @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
8 #ifndef DYNAMICPROPSCMD_H
9 #define DYNAMICPROPSCMD_H
10
11 /* If we use autoconf. */
12 #ifdef HAVE_CONFIG_H
13 #include "config.h"
14 #endif
15
16 #include <stdio.h> /* for FILE */
17
18 #ifdef __cplusplus
19 extern "C" {
20 #endif /* __cplusplus */
21
22 #ifndef CMDLINE_PARSER_PACKAGE
23 /** @brief the program name (used for printing errors) */
24 #define CMDLINE_PARSER_PACKAGE "DynamicProps"
25 #endif
26
27 #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 #ifndef CMDLINE_PARSER_VERSION
33 /** @brief the program version */
34 #define CMDLINE_PARSER_VERSION "1.00"
35 #endif
36
37 /** @brief Where the command line options are stored */
38 struct gengetopt_args_info
39 {
40 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 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 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 const char *sdcorr_help; /**< @brief System dipole correlation function help description. */
65 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
71 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 unsigned int memory_given ; /**< @brief Whether memory was given. */
79 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 unsigned int sdcorr_given ; /**< @brief Whether sdcorr was given. */
84 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
90 int dynamicProps_group_counter; /**< @brief Counter for group dynamicProps */
91 } ;
92
93 /** @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
103 /** @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 void cmdline_parser_print_help(void);
170 /**
171 * Print the version
172 */
173 void cmdline_parser_print_version(void);
174
175 /**
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 void cmdline_parser_init (struct gengetopt_args_info *args_info);
195 /**
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 void cmdline_parser_free (struct gengetopt_args_info *args_info);
201
202 /**
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
212
213 #ifdef __cplusplus
214 }
215 #endif /* __cplusplus */
216 #endif /* DYNAMICPROPSCMD_H */

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