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root/OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.h
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Comparing trunk/src/applications/staticProps/StaticPropsCmd.h (file contents):
Revision 1445 by chuckv, Tue Jun 8 20:26:50 2010 UTC vs.
Revision 1993 by gezelter, Tue Apr 29 17:32:31 2014 UTC

# Line 1 | Line 1
1   /** @file StaticPropsCmd.h
2   *  @brief The header file for the command line option parser
3 < *  generated by GNU Gengetopt version 2.22
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 */
# Line 20 | Line 20 | extern "C" {
20   #endif /* __cplusplus */
21  
22   #ifndef CMDLINE_PARSER_PACKAGE
23 < /** @brief the program name */
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"
# Line 61 | Line 66 | struct gengetopt_args_info
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.  */
# Line 85 | Line 93 | struct gengetopt_args_info
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 +  int seleoffset_arg;   /**< @brief global index offset for a second object (used to define a vector between sites in molecule).  */
97 +  char * seleoffset_orig;       /**< @brief global index offset for a second object (used to define a vector between sites in molecule) original value given at command line.  */
98 +  const char *seleoffset_help; /**< @brief global index offset for a second object (used to define a vector between sites in molecule) help description.  */
99 +  int seleoffset2_arg;  /**< @brief global index offset for a third object (used to define a vector between sites in molecule).  */
100 +  char * seleoffset2_orig;      /**< @brief global index offset for a third object (used to define a vector between sites in molecule) original value given at command line.  */
101 +  const char *seleoffset2_help; /**< @brief global index offset for a third object (used to define a vector between sites in molecule) help description.  */
102    char * molname_arg;   /**< @brief molecule name.  */
103    char * molname_orig;  /**< @brief molecule name original value given at command line.  */
104    const char *molname_help; /**< @brief molecule name help description.  */
# Line 98 | Line 112 | struct gengetopt_args_info
112    char * radius_orig;   /**< @brief nanoparticle radius original value given at command line.  */
113    const char *radius_help; /**< @brief nanoparticle radius help description.  */
114    const char *bo_help; /**< @brief bond order parameter (--rcut must be specified) help description.  */
115 <  const char *bor_help; /**< @brief bond order parameter as a function of radius (--rcut must be specified) help description.  */
115 >  const char *ior_help; /**< @brief icosahedral bond order parameter as a function of radius (--rcut must be specified) help description.  */
116 >  const char *for_help; /**< @brief FCC bond order parameter as a function of radius (--rcut must be specified) help description.  */
117    const char *bad_help; /**< @brief N(theta) bond angle density within (--rcut must be specified) help description.  */
118 +  const char *count_help; /**< @brief count of molecules matching selection criteria (and associated statistics) help description.  */
119    const char *gofr_help; /**< @brief g(r) help description.  */
120    const char *gofz_help; /**< @brief g(z) help description.  */
121    const char *r_theta_help; /**< @brief g(r, cos(theta)) help description.  */
# Line 107 | Line 123 | struct gengetopt_args_info
123    const char *r_z_help; /**< @brief g(r, z) help description.  */
124    const char *theta_omega_help; /**< @brief g(cos(theta), cos(omega)) help description.  */
125    const char *gxyz_help; /**< @brief g(x, y, z) help description.  */
126 <  const char *p2_help; /**< @brief p2 order parameter (--sele1 and --sele2 must be specified) help description.  */
126 >  const char *twodgofr_help; /**< @brief 2D g(r) (Slab width --dz must be specified) help description.  */
127 >  const char *p2_help; /**< @brief p2 order parameter (--sele1 must be specified, --sele2 is optional) help description.  */
128    const char *rp2_help; /**< @brief rp2 order parameter (--sele1 and --sele2 must be specified) help description.  */
129    const char *scd_help; /**< @brief scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified) help description.  */
130    const char *density_help; /**< @brief density plot help description.  */
131    const char *slab_density_help; /**< @brief slab density help description.  */
132 <  const char *p_angle_help; /**< @brief p(cos(theta)) help description.  */
132 >  const char *p_angle_help; /**< @brief p(cos(theta)) (--sele1 must be specified, --sele2 is optional) help description.  */
133    const char *hxy_help; /**< @brief hxy help description.  */
134    const char *rho_r_help; /**< @brief rho of R help description.  */
135 +  const char *angle_r_help; /**< @brief angle of R help description.  */
136    const char *hullvol_help; /**< @brief hull volume of nanoparticle help description.  */
137 +  const char *rodlength_help; /**< @brief length of nanorod help description.  */
138 +  const char *tet_param_help; /**< @brief tetrahedrality order parameter (Qk) help description.  */
139 +  const char *tet_param_z_help; /**< @brief spatially-resolved tetrahedrality order parameter Qk(z) help description.  */
140 +  const char *rnemdz_help; /**< @brief slab-resolved RNEMD statistics (temperature, density, velocity) help description.  */
141 +  const char *rnemdr_help; /**< @brief shell-resolved RNEMD statistics (temperature, density, angular velocity) help description.  */
142 +  const char *rnemdrt_help; /**< @brief shell and angle-resolved RNEMD statistics (temperature, density, angular velocity) help description.  */
143 +  const char *uFreqMap_help; /**< @brief electrostatic potential to frequency map based on the Cho nitrile fits help description.  */
144    
145    unsigned int help_given ;     /**< @brief Whether help was given.  */
146    unsigned int version_given ;  /**< @brief Whether version was given.  */
# Line 128 | Line 153 | struct gengetopt_args_info
153    unsigned int nbins_z_given ;  /**< @brief Whether nbins_z was given.  */
154    unsigned int nanglebins_given ;       /**< @brief Whether nanglebins was given.  */
155    unsigned int rcut_given ;     /**< @brief Whether rcut was given.  */
156 +  unsigned int dz_given ;       /**< @brief Whether dz was given.  */
157    unsigned int length_given ;   /**< @brief Whether length was given.  */
158    unsigned int zlength_given ;  /**< @brief Whether zlength was given.  */
159    unsigned int zoffset_given ;  /**< @brief Whether zoffset was given.  */
# Line 136 | Line 162 | struct gengetopt_args_info
162    unsigned int sele3_given ;    /**< @brief Whether sele3 was given.  */
163    unsigned int refsele_given ;  /**< @brief Whether refsele was given.  */
164    unsigned int comsele_given ;  /**< @brief Whether comsele was given.  */
165 +  unsigned int seleoffset_given ;       /**< @brief Whether seleoffset was given.  */
166 +  unsigned int seleoffset2_given ;      /**< @brief Whether seleoffset2 was given.  */
167    unsigned int molname_given ;  /**< @brief Whether molname was given.  */
168    unsigned int begin_given ;    /**< @brief Whether begin was given.  */
169    unsigned int end_given ;      /**< @brief Whether end was given.  */
170    unsigned int radius_given ;   /**< @brief Whether radius was given.  */
171    unsigned int bo_given ;       /**< @brief Whether bo was given.  */
172 <  unsigned int bor_given ;      /**< @brief Whether bor was given.  */
172 >  unsigned int ior_given ;      /**< @brief Whether ior was given.  */
173 >  unsigned int for_given ;      /**< @brief Whether for was given.  */
174    unsigned int bad_given ;      /**< @brief Whether bad was given.  */
175 +  unsigned int count_given ;    /**< @brief Whether count was given.  */
176    unsigned int gofr_given ;     /**< @brief Whether gofr was given.  */
177    unsigned int gofz_given ;     /**< @brief Whether gofz was given.  */
178    unsigned int r_theta_given ;  /**< @brief Whether r_theta was given.  */
# Line 150 | Line 180 | struct gengetopt_args_info
180    unsigned int r_z_given ;      /**< @brief Whether r_z was given.  */
181    unsigned int theta_omega_given ;      /**< @brief Whether theta_omega was given.  */
182    unsigned int gxyz_given ;     /**< @brief Whether gxyz was given.  */
183 +  unsigned int twodgofr_given ; /**< @brief Whether twodgofr was given.  */
184    unsigned int p2_given ;       /**< @brief Whether p2 was given.  */
185    unsigned int rp2_given ;      /**< @brief Whether rp2 was given.  */
186    unsigned int scd_given ;      /**< @brief Whether scd was given.  */
# Line 158 | Line 189 | struct gengetopt_args_info
189    unsigned int p_angle_given ;  /**< @brief Whether p_angle was given.  */
190    unsigned int hxy_given ;      /**< @brief Whether hxy was given.  */
191    unsigned int rho_r_given ;    /**< @brief Whether rho_r was given.  */
192 +  unsigned int angle_r_given ;  /**< @brief Whether angle_r was given.  */
193    unsigned int hullvol_given ;  /**< @brief Whether hullvol was given.  */
194 +  unsigned int rodlength_given ;        /**< @brief Whether rodlength was given.  */
195 +  unsigned int tet_param_given ;        /**< @brief Whether tet_param was given.  */
196 +  unsigned int tet_param_z_given ;      /**< @brief Whether tet_param_z was given.  */
197 +  unsigned int rnemdz_given ;   /**< @brief Whether rnemdz was given.  */
198 +  unsigned int rnemdr_given ;   /**< @brief Whether rnemdr was given.  */
199 +  unsigned int rnemdrt_given ;  /**< @brief Whether rnemdrt was given.  */
200 +  unsigned int uFreqMap_given ; /**< @brief Whether uFreqMap was given.  */
201  
202 +  char **inputs ; /**< @brief unamed options (options without names) */
203 +  unsigned inputs_num ; /**< @brief unamed options number */
204    int staticProps_group_counter; /**< @brief Counter for group staticProps */
205   } ;
206  
# Line 187 | Line 228 | extern const char *gengetopt_args_info_help[];
228   * @param args_info the structure where option information will be stored
229   * @return 0 if everything went fine, NON 0 if an error took place
230   */
231 < int cmdline_parser (int argc, char * const *argv,
231 > int cmdline_parser (int argc, char **argv,
232    struct gengetopt_args_info *args_info);
233  
234   /**
# Line 201 | Line 242 | int cmdline_parser (int argc, char * const *argv,
242   * @return 0 if everything went fine, NON 0 if an error took place
243   * @deprecated use cmdline_parser_ext() instead
244   */
245 < int cmdline_parser2 (int argc, char * const *argv,
245 > int cmdline_parser2 (int argc, char **argv,
246    struct gengetopt_args_info *args_info,
247    int override, int initialize, int check_required);
248  
# Line 213 | Line 254 | int cmdline_parser2 (int argc, char * const *argv,
254   * @param params additional parameters for the parser
255   * @return 0 if everything went fine, NON 0 if an error took place
256   */
257 < int cmdline_parser_ext (int argc, char * const *argv,
257 > int cmdline_parser_ext (int argc, char **argv,
258    struct gengetopt_args_info *args_info,
259    struct cmdline_parser_params *params);
260  

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