Function: set_crystal_cell
Reference
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List of PyCrysFML08 Dictionaries
List of PyCrysFML08 Functions
Use
set_crystal_cell is used for creating a dictionary of type cell_g_type or cell_gls_type.
function call
r = set_crystal_cell(abc: ndarray, albega: ndarray, kwargs: dict)
| Variable | Type | Description | |
|---|---|---|---|
| abc | ndarray;dtype=float32, shape=3 | a,b,c lattice parameters. | |
| albega | ndarray;dtype=float32, shape=3 | alpha, beta, gamma lattice angles. | |
| kwargs | dict | Optional arguments. The keywords for the optional arguments are: cartype,sd_abc,sd_albega. | |
| cartype | str | Orientation. Allowed values: "AB" | "BA" | "BC" | "CA". Default: "CA", x // a. | |
| sd_abc | ndarray;dtype=float32, shape=3 | Standard deviations for a,b,c | |
| sd_albega | ndarray;dtype=float32, shape=3 | Standard deviations for alpha,beta,gamma | |
| r | tuple | The tuple returned by the function. r[0] : int, error code. If non-zero, an error has occurred. r[1] : str, error message. r[2]: dict, the unit cell, a dictionary of type cell_g_type or cell_gls_type. If optional arguments sd_abc and / or sd_albega are present, the type returned is cell_gls_type. Otherwise, it is cell_g_type. | |
examples
Example 1: Set an hexagonal cell
