Function: change_setting_cell
Reference
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List of PyCrysFML08 Dictionaries
List of PyCrysFML08 Functions
Use
change_setting_cell is used for change the setting of a given cell.
function call
r = change_setting_cell(cell: dict, sett: ndarray | str, kwargs: dict)
| Variable | Type | Description | |
|---|---|---|---|
| cell | dict | The unit cell to which apply the setting change. It must be a dictionary of type cell_g_type or cell_gls_type. It can be generated with the function set_crystal_cell. | |
| sett | str | ndarray; dtype = float32, shape = (3,3) | The setting change. It can be described by a string or by a 3x3 matrix. | |
| kwargs | dict | Optional arguments. The keywords for the optional arguments are: matkind. | |
| matkind | str | The input matrix can be given as the S-matrix in International Tables or its transposed (default) that corresponds to the matrix relating formal column matrices containing the basis vectors. For using the convention of the International Tables, use matkind = "IT". | |
| 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 cell in the new setting, a dictionary of type cell_g_type or cell_gls_type. | |
examples
Example 1: Setting change from a string
Example 2: Setting change from a matrix in IT convention
