| 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. */ |
| 45 |
|
int shells_arg; /**< @brief Nanoparticle shells. */ |
| 46 |
|
char * shells_orig; /**< @brief Nanoparticle shells original value given at command line. */ |
| 47 |
|
const char *shells_help; /**< @brief Nanoparticle shells help description. */ |
| 48 |
+ |
double latticeConstant_arg; /**< @brief Lattice spacing in Angstroms for cubic lattice.. */ |
| 49 |
+ |
char * latticeConstant_orig; /**< @brief Lattice spacing in Angstroms for cubic lattice. original value given at command line. */ |
| 50 |
+ |
const char *latticeConstant_help; /**< @brief Lattice spacing in Angstroms for cubic lattice. help description. */ |
| 51 |
+ |
int columnAtoms_arg; /**< @brief Number of atoms along central column (Decahedron only). */ |
| 52 |
+ |
char * columnAtoms_orig; /**< @brief Number of atoms along central column (Decahedron only) original value given at command line. */ |
| 53 |
+ |
const char *columnAtoms_help; /**< @brief Number of atoms along central column (Decahedron only) help description. */ |
| 54 |
+ |
int twinAtoms_arg; /**< @brief Number of atoms along twin boundary (Decahedron only). */ |
| 55 |
+ |
char * twinAtoms_orig; /**< @brief Number of atoms along twin boundary (Decahedron only) original value given at command line. */ |
| 56 |
+ |
const char *twinAtoms_help; /**< @brief Number of atoms along twin boundary (Decahedron only) help description. */ |
| 57 |
+ |
int truncatedPlanes_arg; /**< @brief Number of truncated planes (Curling-stone Decahedron only). */ |
| 58 |
+ |
char * truncatedPlanes_orig; /**< @brief Number of truncated planes (Curling-stone Decahedron only) original value given at command line. */ |
| 59 |
+ |
const char *truncatedPlanes_help; /**< @brief Number of truncated planes (Curling-stone Decahedron only) help description. */ |
| 60 |
+ |
const char *ico_help; /**< @brief Create an Icosahedral cluster help description. */ |
| 61 |
+ |
const char *deca_help; /**< @brief Create a regualar Decahedral cluster help description. */ |
| 62 |
+ |
const char *ino_help; /**< @brief Create an Ino Decahedral cluster help description. */ |
| 63 |
+ |
const char *marks_help; /**< @brief Create a Marks Decahedral cluster help description. */ |
| 64 |
+ |
const char *stone_help; /**< @brief Create a Curling-stone Decahedral cluster help description. */ |
| 65 |
|
|
| 66 |
|
unsigned int help_given ; /**< @brief Whether help was given. */ |
| 67 |
|
unsigned int version_given ; /**< @brief Whether version was given. */ |
| 68 |
|
unsigned int output_given ; /**< @brief Whether output was given. */ |
| 55 |
– |
unsigned int latticeConstant_given ; /**< @brief Whether latticeConstant was given. */ |
| 69 |
|
unsigned int shells_given ; /**< @brief Whether shells was given. */ |
| 70 |
+ |
unsigned int latticeConstant_given ; /**< @brief Whether latticeConstant was given. */ |
| 71 |
+ |
unsigned int columnAtoms_given ; /**< @brief Whether columnAtoms was given. */ |
| 72 |
+ |
unsigned int twinAtoms_given ; /**< @brief Whether twinAtoms was given. */ |
| 73 |
+ |
unsigned int truncatedPlanes_given ; /**< @brief Whether truncatedPlanes was given. */ |
| 74 |
+ |
unsigned int ico_given ; /**< @brief Whether ico was given. */ |
| 75 |
+ |
unsigned int deca_given ; /**< @brief Whether deca was given. */ |
| 76 |
+ |
unsigned int ino_given ; /**< @brief Whether ino was given. */ |
| 77 |
+ |
unsigned int marks_given ; /**< @brief Whether marks was given. */ |
| 78 |
+ |
unsigned int stone_given ; /**< @brief Whether stone was given. */ |
| 79 |
|
|
| 80 |
|
char **inputs ; /**< @brief unamed options (options without names) */ |
| 81 |
|
unsigned inputs_num ; /**< @brief unamed options number */ |
| 82 |
+ |
int clusterShape_group_counter; /**< @brief Counter for group clusterShape */ |
| 83 |
|
} ; |
| 84 |
|
|
| 85 |
|
/** @brief The additional parameters to pass to parser functions */ |
