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root/OpenMD/branches/development/src/applications/nanoparticleBuilder/nanorodBuilderCmd.h
Revision: 1701
Committed: Thu Apr 5 19:37:58 2012 UTC (13 years, 1 month ago) by kstocke1
Content type: text/plain
File size: 11515 byte(s)
Log Message:
Added files for fcc and pentagonal nanorod builders. Updated runMe in samples/builders to include nanorod builders.

File Contents

# User Rev Content
1 kstocke1 1701 /** @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     double* shellRadius_arg; /**< @brief Radius containing within it only molecules of a specific component. Specified for each component > 1 in the template file.. */
55     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. */
56     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 */
57     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 */
58     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. */
59     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.. */
60     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. */
61     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 */
62     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 */
63     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. */
64     double vacancyPercent_arg; /**< @brief Percentage of atoms to remove from within vacancy range. */
65     char * vacancyPercent_orig; /**< @brief Percentage of atoms to remove from within vacancy range original value given at command line. */
66     const char *vacancyPercent_help; /**< @brief Percentage of atoms to remove from within vacancy range help description. */
67     double vacancyInnerRadius_arg; /**< @brief Radius arround core-shell where vacancies should be located.. */
68     char * vacancyInnerRadius_orig; /**< @brief Radius arround core-shell where vacancies should be located. original value given at command line. */
69     const char *vacancyInnerRadius_help; /**< @brief Radius arround core-shell where vacancies should be located. help description. */
70     double vacancyOuterRadius_arg; /**< @brief Radius arround core-shell where vacancies should be located.. */
71     char * vacancyOuterRadius_orig; /**< @brief Radius arround core-shell where vacancies should be located. original value given at command line. */
72     const char *vacancyOuterRadius_help; /**< @brief Radius arround core-shell where vacancies should be located. help description. */
73     char * type_arg; /**< @brief Type of nanorod -- select 'fcc' or 'pentagonal'. */
74     char * type_orig; /**< @brief Type of nanorod -- select 'fcc' or 'pentagonal' original value given at command line. */
75     const char *type_help; /**< @brief Type of nanorod -- select 'fcc' or 'pentagonal' help description. */
76    
77     unsigned int help_given ; /**< @brief Whether help was given. */
78     unsigned int version_given ; /**< @brief Whether version was given. */
79     unsigned int output_given ; /**< @brief Whether output was given. */
80     unsigned int latticeConstant_given ; /**< @brief Whether latticeConstant was given. */
81     unsigned int radius_given ; /**< @brief Whether radius was given. */
82     unsigned int length_given ; /**< @brief Whether length 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     unsigned int type_given ; /**< @brief Whether type was given. */
89    
90     char **inputs ; /**< @brief unamed options (options without names) */
91     unsigned inputs_num ; /**< @brief unamed options number */
92     } ;
93    
94     /** @brief The additional parameters to pass to parser functions */
95     struct cmdline_parser_params
96     {
97     int override; /**< @brief whether to override possibly already present options (default 0) */
98     int initialize; /**< @brief whether to initialize the option structure gengetopt_args_info (default 1) */
99     int check_required; /**< @brief whether to check that all required options were provided (default 1) */
100     int check_ambiguity; /**< @brief whether to check for options already specified in the option structure gengetopt_args_info (default 0) */
101     int print_errors; /**< @brief whether getopt_long should print an error message for a bad option (default 1) */
102     } ;
103    
104     /** @brief the purpose string of the program */
105     extern const char *gengetopt_args_info_purpose;
106     /** @brief the usage string of the program */
107     extern const char *gengetopt_args_info_usage;
108     /** @brief all the lines making the help output */
109     extern const char *gengetopt_args_info_help[];
110    
111     /**
112     * The command line parser
113     * @param argc the number of command line options
114     * @param argv the command line options
115     * @param args_info the structure where option information will be stored
116     * @return 0 if everything went fine, NON 0 if an error took place
117     */
118     int cmdline_parser (int argc, char **argv,
119     struct gengetopt_args_info *args_info);
120    
121     /**
122     * The command line parser (version with additional parameters - deprecated)
123     * @param argc the number of command line options
124     * @param argv the command line options
125     * @param args_info the structure where option information will be stored
126     * @param override whether to override possibly already present options
127     * @param initialize whether to initialize the option structure my_args_info
128     * @param check_required whether to check that all required options were provided
129     * @return 0 if everything went fine, NON 0 if an error took place
130     * @deprecated use cmdline_parser_ext() instead
131     */
132     int cmdline_parser2 (int argc, char **argv,
133     struct gengetopt_args_info *args_info,
134     int override, int initialize, int check_required);
135    
136     /**
137     * The command line parser (version with additional parameters)
138     * @param argc the number of command line options
139     * @param argv the command line options
140     * @param args_info the structure where option information will be stored
141     * @param params additional parameters for the parser
142     * @return 0 if everything went fine, NON 0 if an error took place
143     */
144     int cmdline_parser_ext (int argc, char **argv,
145     struct gengetopt_args_info *args_info,
146     struct cmdline_parser_params *params);
147    
148     /**
149     * Save the contents of the option struct into an already open FILE stream.
150     * @param outfile the stream where to dump options
151     * @param args_info the option struct to dump
152     * @return 0 if everything went fine, NON 0 if an error took place
153     */
154     int cmdline_parser_dump(FILE *outfile,
155     struct gengetopt_args_info *args_info);
156    
157     /**
158     * Save the contents of the option struct into a (text) file.
159     * This file can be read by the config file parser (if generated by gengetopt)
160     * @param filename the file where to save
161     * @param args_info the option struct to save
162     * @return 0 if everything went fine, NON 0 if an error took place
163     */
164     int cmdline_parser_file_save(const char *filename,
165     struct gengetopt_args_info *args_info);
166    
167     /**
168     * Print the help
169     */
170     void cmdline_parser_print_help(void);
171     /**
172     * Print the version
173     */
174     void cmdline_parser_print_version(void);
175    
176     /**
177     * Initializes all the fields a cmdline_parser_params structure
178     * to their default values
179     * @param params the structure to initialize
180     */
181     void cmdline_parser_params_init(struct cmdline_parser_params *params);
182    
183     /**
184     * Allocates dynamically a cmdline_parser_params structure and initializes
185     * all its fields to their default values
186     * @return the created and initialized cmdline_parser_params structure
187     */
188     struct cmdline_parser_params *cmdline_parser_params_create(void);
189    
190     /**
191     * Initializes the passed gengetopt_args_info structure's fields
192     * (also set default values for options that have a default)
193     * @param args_info the structure to initialize
194     */
195     void cmdline_parser_init (struct gengetopt_args_info *args_info);
196     /**
197     * Deallocates the string fields of the gengetopt_args_info structure
198     * (but does not deallocate the structure itself)
199     * @param args_info the structure to deallocate
200     */
201     void cmdline_parser_free (struct gengetopt_args_info *args_info);
202    
203     /**
204     * Checks that all the required options were specified
205     * @param args_info the structure to check
206     * @param prog_name the name of the program that will be used to print
207     * possible errors
208     * @return
209     */
210     int cmdline_parser_required (struct gengetopt_args_info *args_info,
211     const char *prog_name);
212    
213    
214     #ifdef __cplusplus
215     }
216     #endif /* __cplusplus */
217     #endif /* NANORODBUILDERCMD_H */