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root/OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.h
Revision: 1585
Committed: Sun Jun 19 17:51:15 2011 UTC (13 years, 10 months ago) by gezelter
Content type: text/plain
File size: 17775 byte(s)
Log Message:
Added a module to compute the length of a nanorod

File Contents

# Content
1 /** @file StaticPropsCmd.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 STATICPROPSCMD_H
9 #define STATICPROPSCMD_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 "StaticProps"
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 "StaticProps"
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 int step_arg; /**< @brief process every n frame (default='1'). */
49 char * step_orig; /**< @brief process every n frame original value given at command line. */
50 const char *step_help; /**< @brief process every n frame help description. */
51 int nbins_arg; /**< @brief number of bins (general purpose) (default='100'). */
52 char * nbins_orig; /**< @brief number of bins (general purpose) original value given at command line. */
53 const char *nbins_help; /**< @brief number of bins (general purpose) help description. */
54 int nbins_x_arg; /**< @brief number of bins in x axis (default='100'). */
55 char * nbins_x_orig; /**< @brief number of bins in x axis original value given at command line. */
56 const char *nbins_x_help; /**< @brief number of bins in x axis help description. */
57 int nbins_y_arg; /**< @brief number of bins in y axis (default='100'). */
58 char * nbins_y_orig; /**< @brief number of bins in y axis original value given at command line. */
59 const char *nbins_y_help; /**< @brief number of bins in y axis help description. */
60 int nbins_z_arg; /**< @brief number of bins in z axis (default='100'). */
61 char * nbins_z_orig; /**< @brief number of bins in z axis original value given at command line. */
62 const char *nbins_z_help; /**< @brief number of bins in z axis help description. */
63 int nanglebins_arg; /**< @brief number of bins for cos(angle) (default='50'). */
64 char * nanglebins_orig; /**< @brief number of bins for cos(angle) original value given at command line. */
65 const char *nanglebins_help; /**< @brief number of bins for cos(angle) help description. */
66 double rcut_arg; /**< @brief cutoff radius (rcut). */
67 char * rcut_orig; /**< @brief cutoff radius (rcut) original value given at command line. */
68 const char *rcut_help; /**< @brief cutoff radius (rcut) help description. */
69 double dz_arg; /**< @brief slab width (dz). */
70 char * dz_orig; /**< @brief slab width (dz) original value given at command line. */
71 const char *dz_help; /**< @brief slab width (dz) help description. */
72 double length_arg; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame). */
73 char * length_orig; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line. */
74 const char *length_help; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) help description. */
75 double zlength_arg; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame). */
76 char * zlength_orig; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line. */
77 const char *zlength_help; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) help description. */
78 double zoffset_arg; /**< @brief Where to set the zero for the slab_density calculation (default='0'). */
79 char * zoffset_orig; /**< @brief Where to set the zero for the slab_density calculation original value given at command line. */
80 const char *zoffset_help; /**< @brief Where to set the zero for the slab_density calculation help description. */
81 char * sele1_arg; /**< @brief select the first stuntdouble set. */
82 char * sele1_orig; /**< @brief select the first stuntdouble set original value given at command line. */
83 const char *sele1_help; /**< @brief select the first stuntdouble set help description. */
84 char * sele2_arg; /**< @brief select the second stuntdouble set. */
85 char * sele2_orig; /**< @brief select the second stuntdouble set original value given at command line. */
86 const char *sele2_help; /**< @brief select the second stuntdouble set help description. */
87 char * sele3_arg; /**< @brief select the third stuntdouble set. */
88 char * sele3_orig; /**< @brief select the third stuntdouble set original value given at command line. */
89 const char *sele3_help; /**< @brief select the third stuntdouble set help description. */
90 char * refsele_arg; /**< @brief select reference (use and only use with --gxyz). */
91 char * refsele_orig; /**< @brief select reference (use and only use with --gxyz) original value given at command line. */
92 const char *refsele_help; /**< @brief select reference (use and only use with --gxyz) help description. */
93 char * comsele_arg; /**< @brief select stunt doubles for center-of-mass reference point. */
94 char * comsele_orig; /**< @brief select stunt doubles for center-of-mass reference point original value given at command line. */
95 const char *comsele_help; /**< @brief select stunt doubles for center-of-mass reference point help description. */
96 char * molname_arg; /**< @brief molecule name. */
97 char * molname_orig; /**< @brief molecule name original value given at command line. */
98 const char *molname_help; /**< @brief molecule name help description. */
99 int begin_arg; /**< @brief begin internal index. */
100 char * begin_orig; /**< @brief begin internal index original value given at command line. */
101 const char *begin_help; /**< @brief begin internal index help description. */
102 int end_arg; /**< @brief end internal index. */
103 char * end_orig; /**< @brief end internal index original value given at command line. */
104 const char *end_help; /**< @brief end internal index help description. */
105 double radius_arg; /**< @brief nanoparticle radius. */
106 char * radius_orig; /**< @brief nanoparticle radius original value given at command line. */
107 const char *radius_help; /**< @brief nanoparticle radius help description. */
108 const char *bo_help; /**< @brief bond order parameter (--rcut must be specified) help description. */
109 const char *bor_help; /**< @brief bond order parameter as a function of radius (--rcut must be specified) help description. */
110 const char *bad_help; /**< @brief N(theta) bond angle density within (--rcut must be specified) help description. */
111 const char *count_help; /**< @brief count of molecules matching selection criteria (and associated statistics) help description. */
112 const char *gofr_help; /**< @brief g(r) help description. */
113 const char *gofz_help; /**< @brief g(z) help description. */
114 const char *r_theta_help; /**< @brief g(r, cos(theta)) help description. */
115 const char *r_omega_help; /**< @brief g(r, cos(omega)) help description. */
116 const char *r_z_help; /**< @brief g(r, z) help description. */
117 const char *theta_omega_help; /**< @brief g(cos(theta), cos(omega)) help description. */
118 const char *gxyz_help; /**< @brief g(x, y, z) help description. */
119 const char *twodgofr_help; /**< @brief 2D g(r) (Slab width --dz must be specified) help description. */
120 const char *p2_help; /**< @brief p2 order parameter (--sele1 must be specified, --sele2 is optional) help description. */
121 const char *rp2_help; /**< @brief rp2 order parameter (--sele1 and --sele2 must be specified) help description. */
122 const char *scd_help; /**< @brief scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified) help description. */
123 const char *density_help; /**< @brief density plot help description. */
124 const char *slab_density_help; /**< @brief slab density help description. */
125 const char *p_angle_help; /**< @brief p(cos(theta)) help description. */
126 const char *hxy_help; /**< @brief hxy help description. */
127 const char *rho_r_help; /**< @brief rho of R help description. */
128 const char *angle_r_help; /**< @brief angle of R help description. */
129 const char *hullvol_help; /**< @brief hull volume of nanoparticle help description. */
130 const char *rodlength_help; /**< @brief length of nanorod help description. */
131 const char *tet_param_help; /**< @brief tetrahedrality order parameter help description. */
132
133 unsigned int help_given ; /**< @brief Whether help was given. */
134 unsigned int version_given ; /**< @brief Whether version was given. */
135 unsigned int input_given ; /**< @brief Whether input was given. */
136 unsigned int output_given ; /**< @brief Whether output was given. */
137 unsigned int step_given ; /**< @brief Whether step was given. */
138 unsigned int nbins_given ; /**< @brief Whether nbins was given. */
139 unsigned int nbins_x_given ; /**< @brief Whether nbins_x was given. */
140 unsigned int nbins_y_given ; /**< @brief Whether nbins_y was given. */
141 unsigned int nbins_z_given ; /**< @brief Whether nbins_z was given. */
142 unsigned int nanglebins_given ; /**< @brief Whether nanglebins was given. */
143 unsigned int rcut_given ; /**< @brief Whether rcut was given. */
144 unsigned int dz_given ; /**< @brief Whether dz was given. */
145 unsigned int length_given ; /**< @brief Whether length was given. */
146 unsigned int zlength_given ; /**< @brief Whether zlength was given. */
147 unsigned int zoffset_given ; /**< @brief Whether zoffset was given. */
148 unsigned int sele1_given ; /**< @brief Whether sele1 was given. */
149 unsigned int sele2_given ; /**< @brief Whether sele2 was given. */
150 unsigned int sele3_given ; /**< @brief Whether sele3 was given. */
151 unsigned int refsele_given ; /**< @brief Whether refsele was given. */
152 unsigned int comsele_given ; /**< @brief Whether comsele was given. */
153 unsigned int molname_given ; /**< @brief Whether molname was given. */
154 unsigned int begin_given ; /**< @brief Whether begin was given. */
155 unsigned int end_given ; /**< @brief Whether end was given. */
156 unsigned int radius_given ; /**< @brief Whether radius was given. */
157 unsigned int bo_given ; /**< @brief Whether bo was given. */
158 unsigned int bor_given ; /**< @brief Whether bor was given. */
159 unsigned int bad_given ; /**< @brief Whether bad was given. */
160 unsigned int count_given ; /**< @brief Whether count was given. */
161 unsigned int gofr_given ; /**< @brief Whether gofr was given. */
162 unsigned int gofz_given ; /**< @brief Whether gofz was given. */
163 unsigned int r_theta_given ; /**< @brief Whether r_theta was given. */
164 unsigned int r_omega_given ; /**< @brief Whether r_omega was given. */
165 unsigned int r_z_given ; /**< @brief Whether r_z was given. */
166 unsigned int theta_omega_given ; /**< @brief Whether theta_omega was given. */
167 unsigned int gxyz_given ; /**< @brief Whether gxyz was given. */
168 unsigned int twodgofr_given ; /**< @brief Whether twodgofr was given. */
169 unsigned int p2_given ; /**< @brief Whether p2 was given. */
170 unsigned int rp2_given ; /**< @brief Whether rp2 was given. */
171 unsigned int scd_given ; /**< @brief Whether scd was given. */
172 unsigned int density_given ; /**< @brief Whether density was given. */
173 unsigned int slab_density_given ; /**< @brief Whether slab_density was given. */
174 unsigned int p_angle_given ; /**< @brief Whether p_angle was given. */
175 unsigned int hxy_given ; /**< @brief Whether hxy was given. */
176 unsigned int rho_r_given ; /**< @brief Whether rho_r was given. */
177 unsigned int angle_r_given ; /**< @brief Whether angle_r was given. */
178 unsigned int hullvol_given ; /**< @brief Whether hullvol was given. */
179 unsigned int rodlength_given ; /**< @brief Whether rodlength was given. */
180 unsigned int tet_param_given ; /**< @brief Whether tet_param was given. */
181
182 char **inputs ; /**< @brief unamed options (options without names) */
183 unsigned inputs_num ; /**< @brief unamed options number */
184 int staticProps_group_counter; /**< @brief Counter for group staticProps */
185 } ;
186
187 /** @brief The additional parameters to pass to parser functions */
188 struct cmdline_parser_params
189 {
190 int override; /**< @brief whether to override possibly already present options (default 0) */
191 int initialize; /**< @brief whether to initialize the option structure gengetopt_args_info (default 1) */
192 int check_required; /**< @brief whether to check that all required options were provided (default 1) */
193 int check_ambiguity; /**< @brief whether to check for options already specified in the option structure gengetopt_args_info (default 0) */
194 int print_errors; /**< @brief whether getopt_long should print an error message for a bad option (default 1) */
195 } ;
196
197 /** @brief the purpose string of the program */
198 extern const char *gengetopt_args_info_purpose;
199 /** @brief the usage string of the program */
200 extern const char *gengetopt_args_info_usage;
201 /** @brief all the lines making the help output */
202 extern const char *gengetopt_args_info_help[];
203
204 /**
205 * The command line parser
206 * @param argc the number of command line options
207 * @param argv the command line options
208 * @param args_info the structure where option information will be stored
209 * @return 0 if everything went fine, NON 0 if an error took place
210 */
211 int cmdline_parser (int argc, char **argv,
212 struct gengetopt_args_info *args_info);
213
214 /**
215 * The command line parser (version with additional parameters - deprecated)
216 * @param argc the number of command line options
217 * @param argv the command line options
218 * @param args_info the structure where option information will be stored
219 * @param override whether to override possibly already present options
220 * @param initialize whether to initialize the option structure my_args_info
221 * @param check_required whether to check that all required options were provided
222 * @return 0 if everything went fine, NON 0 if an error took place
223 * @deprecated use cmdline_parser_ext() instead
224 */
225 int cmdline_parser2 (int argc, char **argv,
226 struct gengetopt_args_info *args_info,
227 int override, int initialize, int check_required);
228
229 /**
230 * The command line parser (version with additional parameters)
231 * @param argc the number of command line options
232 * @param argv the command line options
233 * @param args_info the structure where option information will be stored
234 * @param params additional parameters for the parser
235 * @return 0 if everything went fine, NON 0 if an error took place
236 */
237 int cmdline_parser_ext (int argc, char **argv,
238 struct gengetopt_args_info *args_info,
239 struct cmdline_parser_params *params);
240
241 /**
242 * Save the contents of the option struct into an already open FILE stream.
243 * @param outfile the stream where to dump options
244 * @param args_info the option struct to dump
245 * @return 0 if everything went fine, NON 0 if an error took place
246 */
247 int cmdline_parser_dump(FILE *outfile,
248 struct gengetopt_args_info *args_info);
249
250 /**
251 * Save the contents of the option struct into a (text) file.
252 * This file can be read by the config file parser (if generated by gengetopt)
253 * @param filename the file where to save
254 * @param args_info the option struct to save
255 * @return 0 if everything went fine, NON 0 if an error took place
256 */
257 int cmdline_parser_file_save(const char *filename,
258 struct gengetopt_args_info *args_info);
259
260 /**
261 * Print the help
262 */
263 void cmdline_parser_print_help(void);
264 /**
265 * Print the version
266 */
267 void cmdline_parser_print_version(void);
268
269 /**
270 * Initializes all the fields a cmdline_parser_params structure
271 * to their default values
272 * @param params the structure to initialize
273 */
274 void cmdline_parser_params_init(struct cmdline_parser_params *params);
275
276 /**
277 * Allocates dynamically a cmdline_parser_params structure and initializes
278 * all its fields to their default values
279 * @return the created and initialized cmdline_parser_params structure
280 */
281 struct cmdline_parser_params *cmdline_parser_params_create(void);
282
283 /**
284 * Initializes the passed gengetopt_args_info structure's fields
285 * (also set default values for options that have a default)
286 * @param args_info the structure to initialize
287 */
288 void cmdline_parser_init (struct gengetopt_args_info *args_info);
289 /**
290 * Deallocates the string fields of the gengetopt_args_info structure
291 * (but does not deallocate the structure itself)
292 * @param args_info the structure to deallocate
293 */
294 void cmdline_parser_free (struct gengetopt_args_info *args_info);
295
296 /**
297 * Checks that all the required options were specified
298 * @param args_info the structure to check
299 * @param prog_name the name of the program that will be used to print
300 * possible errors
301 * @return
302 */
303 int cmdline_parser_required (struct gengetopt_args_info *args_info,
304 const char *prog_name);
305
306
307 #ifdef __cplusplus
308 }
309 #endif /* __cplusplus */
310 #endif /* STATICPROPSCMD_H */

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