52 |
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int nbins_y_arg; /**< @brief number of bins in y axis (default='100'). */ |
53 |
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char * nbins_y_orig; /**< @brief number of bins in y axis original value given at command line. */ |
54 |
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const char *nbins_y_help; /**< @brief number of bins in y axis help description. */ |
55 |
+ |
int nbins_z_arg; /**< @brief number of bins in z axis (default='100'). */ |
56 |
+ |
char * nbins_z_orig; /**< @brief number of bins in z axis original value given at command line. */ |
57 |
+ |
const char *nbins_z_help; /**< @brief number of bins in z axis help description. */ |
58 |
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int nanglebins_arg; /**< @brief number of bins for cos(angle) (default='50'). */ |
59 |
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char * nanglebins_orig; /**< @brief number of bins for cos(angle) original value given at command line. */ |
60 |
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const char *nanglebins_help; /**< @brief number of bins for cos(angle) help description. */ |
101 |
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const char *gofz_help; /**< @brief g(z) help description. */ |
102 |
|
const char *r_theta_help; /**< @brief g(r, cos(theta)) help description. */ |
103 |
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const char *r_omega_help; /**< @brief g(r, cos(omega)) help description. */ |
104 |
+ |
const char *r_z_help; /**< @brief g(r, z) help description. */ |
105 |
|
const char *theta_omega_help; /**< @brief g(cos(theta), cos(omega)) help description. */ |
106 |
|
const char *gxyz_help; /**< @brief g(x, y, z) help description. */ |
107 |
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const char *p2_help; /**< @brief p2 order parameter (--sele1 and --sele2 must be specified) help description. */ |
109 |
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const char *scd_help; /**< @brief scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified) help description. */ |
110 |
|
const char *density_help; /**< @brief density plot help description. */ |
111 |
|
const char *slab_density_help; /**< @brief slab density help description. */ |
112 |
+ |
const char *p_angle_help; /**< @brief p(cos(theta)) help description. */ |
113 |
|
const char *hxy_help; /**< @brief hxy help description. */ |
114 |
|
const char *rho_r_help; /**< @brief rho of R help description. */ |
115 |
|
const char *hullvol_help; /**< @brief hull volume of nanoparticle help description. */ |
122 |
|
unsigned int nbins_given ; /**< @brief Whether nbins was given. */ |
123 |
|
unsigned int nbins_x_given ; /**< @brief Whether nbins_x was given. */ |
124 |
|
unsigned int nbins_y_given ; /**< @brief Whether nbins_y was given. */ |
125 |
+ |
unsigned int nbins_z_given ; /**< @brief Whether nbins_z was given. */ |
126 |
|
unsigned int nanglebins_given ; /**< @brief Whether nanglebins was given. */ |
127 |
|
unsigned int length_given ; /**< @brief Whether length was given. */ |
128 |
|
unsigned int rcut_given ; /**< @brief Whether rcut was given. */ |
143 |
|
unsigned int gofz_given ; /**< @brief Whether gofz was given. */ |
144 |
|
unsigned int r_theta_given ; /**< @brief Whether r_theta was given. */ |
145 |
|
unsigned int r_omega_given ; /**< @brief Whether r_omega was given. */ |
146 |
+ |
unsigned int r_z_given ; /**< @brief Whether r_z was given. */ |
147 |
|
unsigned int theta_omega_given ; /**< @brief Whether theta_omega was given. */ |
148 |
|
unsigned int gxyz_given ; /**< @brief Whether gxyz was given. */ |
149 |
|
unsigned int p2_given ; /**< @brief Whether p2 was given. */ |
151 |
|
unsigned int scd_given ; /**< @brief Whether scd was given. */ |
152 |
|
unsigned int density_given ; /**< @brief Whether density was given. */ |
153 |
|
unsigned int slab_density_given ; /**< @brief Whether slab_density was given. */ |
154 |
+ |
unsigned int p_angle_given ; /**< @brief Whether p_angle was given. */ |
155 |
|
unsigned int hxy_given ; /**< @brief Whether hxy was given. */ |
156 |
|
unsigned int rho_r_given ; /**< @brief Whether rho_r was given. */ |
157 |
|
unsigned int hullvol_given ; /**< @brief Whether hullvol was given. */ |
158 |
|
|
159 |
+ |
char **inputs ; /**< @brief unamed options (options without names) */ |
160 |
+ |
unsigned inputs_num ; /**< @brief unamed options number */ |
161 |
|
int staticProps_group_counter; /**< @brief Counter for group staticProps */ |
162 |
|
} ; |
163 |
|
|