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root/OpenMD/branches/development/src/applications/nanoparticleBuilder/nanorodBuilderCmd.h
Revision: 1864
Committed: Fri Apr 12 21:21:45 2013 UTC (12 years, 1 month ago) by gezelter
Content type: text/plain
File size: 11403 byte(s)
Log Message:
Added an ellipsoidal shaped lattice

File Contents

# Content
1 /** @file nanorodBuilderCmd.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 NANORODBUILDERCMD_H
9 #define NANORODBUILDERCMD_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 "nanorodBuilder"
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 "nanorodBuilder"
30 #endif
31
32 #ifndef CMDLINE_PARSER_VERSION
33 /** @brief the program version */
34 #define CMDLINE_PARSER_VERSION "1.0"
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 * output_arg; /**< @brief Output file name. */
43 char * output_orig; /**< @brief Output file name original value given at command line. */
44 const char *output_help; /**< @brief Output file name help description. */
45 double latticeConstant_arg; /**< @brief Lattice spacing in Angstroms for cubic lattice.. */
46 char * latticeConstant_orig; /**< @brief Lattice spacing in Angstroms for cubic lattice. original value given at command line. */
47 const char *latticeConstant_help; /**< @brief Lattice spacing in Angstroms for cubic lattice. help description. */
48 double radius_arg; /**< @brief Nanorod radius in Angstroms. */
49 char * radius_orig; /**< @brief Nanorod radius in Angstroms original value given at command line. */
50 const char *radius_help; /**< @brief Nanorod radius in Angstroms help description. */
51 double length_arg; /**< @brief Nanorod length in Angstroms. */
52 char * length_orig; /**< @brief Nanorod length in Angstroms original value given at command line. */
53 const char *length_help; /**< @brief Nanorod length in Angstroms help description. */
54 int ellipsoid_flag; /**< @brief Build an Ellipsoid instead of a rod. (default=off). */
55 const char *ellipsoid_help; /**< @brief Build an Ellipsoid instead of a rod. help description. */
56 double* shellRadius_arg; /**< @brief Radius containing within it only molecules of a specific component. Specified for each component > 1 in the template file.. */
57 char ** shellRadius_orig; /**< @brief Radius containing within it only molecules of a specific component. Specified for each component > 1 in the template file. original value given at command line. */
58 unsigned int shellRadius_min; /**< @brief Radius containing within it only molecules of a specific component. Specified for each component > 1 in the template file.'s minimum occurreces */
59 unsigned int shellRadius_max; /**< @brief Radius containing within it only molecules of a specific component. Specified for each component > 1 in the template file.'s maximum occurreces */
60 const char *shellRadius_help; /**< @brief Radius containing within it only molecules of a specific component. Specified for each component > 1 in the template file. help description. */
61 double* molFraction_arg; /**< @brief Builds a multi-component random alloy nanoparticle. A mole Fraction must be specified for each component > 1 in the template file.. */
62 char ** molFraction_orig; /**< @brief Builds a multi-component random alloy nanoparticle. A mole Fraction must be specified for each component > 1 in the template file. original value given at command line. */
63 unsigned int molFraction_min; /**< @brief Builds a multi-component random alloy nanoparticle. A mole Fraction must be specified for each component > 1 in the template file.'s minimum occurreces */
64 unsigned int molFraction_max; /**< @brief Builds a multi-component random alloy nanoparticle. A mole Fraction must be specified for each component > 1 in the template file.'s maximum occurreces */
65 const char *molFraction_help; /**< @brief Builds a multi-component random alloy nanoparticle. A mole Fraction must be specified for each component > 1 in the template file. help description. */
66 double vacancyPercent_arg; /**< @brief Percentage of atoms to remove from within vacancy range. */
67 char * vacancyPercent_orig; /**< @brief Percentage of atoms to remove from within vacancy range original value given at command line. */
68 const char *vacancyPercent_help; /**< @brief Percentage of atoms to remove from within vacancy range help description. */
69 double vacancyInnerRadius_arg; /**< @brief Radius arround core-shell where vacancies should be located.. */
70 char * vacancyInnerRadius_orig; /**< @brief Radius arround core-shell where vacancies should be located. original value given at command line. */
71 const char *vacancyInnerRadius_help; /**< @brief Radius arround core-shell where vacancies should be located. help description. */
72 double vacancyOuterRadius_arg; /**< @brief Radius arround core-shell where vacancies should be located.. */
73 char * vacancyOuterRadius_orig; /**< @brief Radius arround core-shell where vacancies should be located. original value given at command line. */
74 const char *vacancyOuterRadius_help; /**< @brief Radius arround core-shell where vacancies should be located. help description. */
75
76 unsigned int help_given ; /**< @brief Whether help was given. */
77 unsigned int version_given ; /**< @brief Whether version was given. */
78 unsigned int output_given ; /**< @brief Whether output was given. */
79 unsigned int latticeConstant_given ; /**< @brief Whether latticeConstant was given. */
80 unsigned int radius_given ; /**< @brief Whether radius was given. */
81 unsigned int length_given ; /**< @brief Whether length was given. */
82 unsigned int ellipsoid_given ; /**< @brief Whether ellipsoid was given. */
83 unsigned int shellRadius_given ; /**< @brief Whether shellRadius was given. */
84 unsigned int molFraction_given ; /**< @brief Whether molFraction was given. */
85 unsigned int vacancyPercent_given ; /**< @brief Whether vacancyPercent was given. */
86 unsigned int vacancyInnerRadius_given ; /**< @brief Whether vacancyInnerRadius was given. */
87 unsigned int vacancyOuterRadius_given ; /**< @brief Whether vacancyOuterRadius was given. */
88
89 char **inputs ; /**< @brief unamed options (options without names) */
90 unsigned inputs_num ; /**< @brief unamed options number */
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 /* NANORODBUILDERCMD_H */