Function: h_uni
Reference
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List of PyCrysFML08 Dictionaries
List of PyCrysFML08 Functions
USE
h_uni computes unique reflections between two values of sin(theta) / lambda, given a space group and a unit cell.
function call
r = h_uni(cell : dict, spg : dict, friedel : bool, vmin : float, vmax : float, code : str, maxref : int, kwargs : dict)
| Variable | Type | Description | |
|---|---|---|---|
| cell | dict | Unit cell. It must be a dictionary of type cell_g_type or cell_gls_type. It can be generated with the function set_crystal_cell. | |
| spg | dict | The space group. It must be a dictionary of type spg_type. It can be generated with the function set_spacegroup. | |
| friedel | bool | If True, apply Friedel's law. | |
| vmin | float | Lower limit of sin(theta) / lambda. | |
| vmax | float | Upper limit of sin(theta) / lambda. | |
| code | str | If code = 'r', input corresponds to d-spacing. | |
| maxref | int | Maximum number of reflections that can be generated. | |
| kwargs | dict | Optional arguments. Available keys: ord, hlim. | |
| hlim | ndarray; dtype=int32; shape=(3,2) | Lower / upper limits for h,k,l. | |
| 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 list of reflections, a dictionary of type refl_list_type. | |
examples
