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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 1522 by kstocke1, Fri Nov 19 20:26:36 2010 UTC vs.
Revision 2015 by gezelter, Wed Aug 13 20:42:43 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 88 | 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 100 | Line 111 | struct gengetopt_args_info
111    double radius_arg;    /**< @brief nanoparticle radius.  */
112    char * radius_orig;   /**< @brief nanoparticle radius original value given at command line.  */
113    const char *radius_help; /**< @brief nanoparticle radius help description.  */
114 +  double voxelSize_arg; /**< @brief voxel size (angstroms).  */
115 +  char * voxelSize_orig;        /**< @brief voxel size (angstroms) original value given at command line.  */
116 +  const char *voxelSize_help; /**< @brief voxel size (angstroms) help description.  */
117 +  double gaussWidth_arg;        /**< @brief Gaussian width (angstroms).  */
118 +  char * gaussWidth_orig;       /**< @brief Gaussian width (angstroms) original value given at command line.  */
119 +  const char *gaussWidth_help; /**< @brief Gaussian width (angstroms) help description.  */
120    const char *bo_help; /**< @brief bond order parameter (--rcut must be specified) help description.  */
121 <  const char *bor_help; /**< @brief bond order parameter as a function of radius (--rcut must be specified) help description.  */
121 >  const char *ior_help; /**< @brief icosahedral bond order parameter as a function of radius (--rcut must be specified) help description.  */
122 >  const char *for_help; /**< @brief FCC bond order parameter as a function of radius (--rcut must be specified) help description.  */
123    const char *bad_help; /**< @brief N(theta) bond angle density within (--rcut must be specified) help description.  */
124    const char *count_help; /**< @brief count of molecules matching selection criteria (and associated statistics) help description.  */
125    const char *gofr_help; /**< @brief g(r) help description.  */
# Line 112 | Line 130 | struct gengetopt_args_info
130    const char *theta_omega_help; /**< @brief g(cos(theta), cos(omega)) help description.  */
131    const char *gxyz_help; /**< @brief g(x, y, z) help description.  */
132    const char *twodgofr_help; /**< @brief 2D g(r) (Slab width --dz must be specified) help description.  */
133 <  const char *p2_help; /**< @brief p2 order parameter (--sele1 and --sele2 must be specified) help description.  */
133 >  const char *p2_help; /**< @brief p2 order parameter (--sele1 must be specified, --sele2 is optional) help description.  */
134    const char *rp2_help; /**< @brief rp2 order parameter (--sele1 and --sele2 must be specified) help description.  */
135    const char *scd_help; /**< @brief scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified) help description.  */
136    const char *density_help; /**< @brief density plot help description.  */
137    const char *slab_density_help; /**< @brief slab density help description.  */
138 <  const char *p_angle_help; /**< @brief p(cos(theta)) help description.  */
138 >  const char *p_angle_help; /**< @brief p(cos(theta)) (--sele1 must be specified, --sele2 is optional) help description.  */
139    const char *hxy_help; /**< @brief hxy help description.  */
140    const char *rho_r_help; /**< @brief rho of R help description.  */
141    const char *angle_r_help; /**< @brief angle of R help description.  */
142    const char *hullvol_help; /**< @brief hull volume of nanoparticle help description.  */
143 <  const char *tet_param_help; /**< @brief tetrahedrality order parameter help description.  */
143 >  const char *rodlength_help; /**< @brief length of nanorod help description.  */
144 >  const char *tet_param_help; /**< @brief tetrahedrality order parameter (Qk) help description.  */
145 >  const char *tet_param_z_help; /**< @brief spatially-resolved tetrahedrality order parameter Qk(z) help description.  */
146 >  const char *tet_param_xyz_help; /**< @brief volume-resolved tetrahedrality order parameter Qk(x,y,z).  (voxelSize, rcut, and gaussWidth must be specified) help description.  */
147 >  const char *rnemdz_help; /**< @brief slab-resolved RNEMD statistics (temperature, density, velocity) help description.  */
148 >  const char *rnemdr_help; /**< @brief shell-resolved RNEMD statistics (temperature, density, angular velocity) help description.  */
149 >  const char *rnemdrt_help; /**< @brief shell and angle-resolved RNEMD statistics (temperature, density, angular velocity) help description.  */
150 >  const char *nitrile_help; /**< @brief electrostatic potential to frequency map based on the Cho nitrile fits help description.  */
151 >  const char *multipole_help; /**< @brief average multipole moments contained within cutoff spheres as a function of radius help description.  */
152    
153    unsigned int help_given ;     /**< @brief Whether help was given.  */
154    unsigned int version_given ;  /**< @brief Whether version was given.  */
# Line 144 | Line 170 | struct gengetopt_args_info
170    unsigned int sele3_given ;    /**< @brief Whether sele3 was given.  */
171    unsigned int refsele_given ;  /**< @brief Whether refsele was given.  */
172    unsigned int comsele_given ;  /**< @brief Whether comsele was given.  */
173 +  unsigned int seleoffset_given ;       /**< @brief Whether seleoffset was given.  */
174 +  unsigned int seleoffset2_given ;      /**< @brief Whether seleoffset2 was given.  */
175    unsigned int molname_given ;  /**< @brief Whether molname was given.  */
176    unsigned int begin_given ;    /**< @brief Whether begin was given.  */
177    unsigned int end_given ;      /**< @brief Whether end was given.  */
178    unsigned int radius_given ;   /**< @brief Whether radius was given.  */
179 +  unsigned int voxelSize_given ;        /**< @brief Whether voxelSize was given.  */
180 +  unsigned int gaussWidth_given ;       /**< @brief Whether gaussWidth was given.  */
181    unsigned int bo_given ;       /**< @brief Whether bo was given.  */
182 <  unsigned int bor_given ;      /**< @brief Whether bor was given.  */
182 >  unsigned int ior_given ;      /**< @brief Whether ior was given.  */
183 >  unsigned int for_given ;      /**< @brief Whether for was given.  */
184    unsigned int bad_given ;      /**< @brief Whether bad was given.  */
185    unsigned int count_given ;    /**< @brief Whether count was given.  */
186    unsigned int gofr_given ;     /**< @brief Whether gofr was given.  */
# Line 170 | Line 201 | struct gengetopt_args_info
201    unsigned int rho_r_given ;    /**< @brief Whether rho_r was given.  */
202    unsigned int angle_r_given ;  /**< @brief Whether angle_r was given.  */
203    unsigned int hullvol_given ;  /**< @brief Whether hullvol was given.  */
204 +  unsigned int rodlength_given ;        /**< @brief Whether rodlength was given.  */
205    unsigned int tet_param_given ;        /**< @brief Whether tet_param was given.  */
206 +  unsigned int tet_param_z_given ;      /**< @brief Whether tet_param_z was given.  */
207 +  unsigned int tet_param_xyz_given ;    /**< @brief Whether tet_param_xyz was given.  */
208 +  unsigned int rnemdz_given ;   /**< @brief Whether rnemdz was given.  */
209 +  unsigned int rnemdr_given ;   /**< @brief Whether rnemdr was given.  */
210 +  unsigned int rnemdrt_given ;  /**< @brief Whether rnemdrt was given.  */
211 +  unsigned int nitrile_given ;  /**< @brief Whether nitrile was given.  */
212 +  unsigned int multipole_given ;        /**< @brief Whether multipole was given.  */
213  
214    char **inputs ; /**< @brief unamed options (options without names) */
215    unsigned inputs_num ; /**< @brief unamed options number */
# Line 201 | Line 240 | extern const char *gengetopt_args_info_help[];
240   * @param args_info the structure where option information will be stored
241   * @return 0 if everything went fine, NON 0 if an error took place
242   */
243 < int cmdline_parser (int argc, char * const *argv,
243 > int cmdline_parser (int argc, char **argv,
244    struct gengetopt_args_info *args_info);
245  
246   /**
# Line 215 | Line 254 | int cmdline_parser (int argc, char * const *argv,
254   * @return 0 if everything went fine, NON 0 if an error took place
255   * @deprecated use cmdline_parser_ext() instead
256   */
257 < int cmdline_parser2 (int argc, char * const *argv,
257 > int cmdline_parser2 (int argc, char **argv,
258    struct gengetopt_args_info *args_info,
259    int override, int initialize, int check_required);
260  
# Line 227 | Line 266 | int cmdline_parser2 (int argc, char * const *argv,
266   * @param params additional parameters for the parser
267   * @return 0 if everything went fine, NON 0 if an error took place
268   */
269 < int cmdline_parser_ext (int argc, char * const *argv,
269 > int cmdline_parser_ext (int argc, char **argv,
270    struct gengetopt_args_info *args_info,
271    struct cmdline_parser_params *params);
272  

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