id4_common.utils.hkl_utils_new#

Auxilary HKL functions.

Module Contents#

id4_common.utils.hkl_utils_new.RE#
id4_common.utils.hkl_utils_new.pbar_manager#
class id4_common.utils.hkl_utils_new.Geometries(huber_euler, huber_euler_psi, huber_hp, huber_hp_psi)#

Register the diffractometer geometries.

property huber_euler#
property huber_euler_psi#
property huber_hp#
property huber_hp_psi#
id4_common.utils.hkl_utils_new.geometries#
id4_common.utils.hkl_utils_new.newsample()#

Interactively add a new sample with lattice constants.

Prompts the user for:

  • sample name

  • lattice constants (a, b, c, alpha, beta, gamma)

Uses defaults if the user just presses Enter.

id4_common.utils.hkl_utils_new.list_reflections(all_samples=False)#

Lists all reflections defined in hklpy for six-circle geometry.

Parameters:

all_samples (bool, optional) – If True, list reflections for all samples. If False, only the current sample. Defaults to False.

id4_common.utils.hkl_utils_new.sampleChange(sample_key=None)#

Change selected sample in hklpy2.

Parameters:

sample_key (string, optional) – Name of the sample as set in hklpy. If None it will ask for which sample.

id4_common.utils.hkl_utils_new.sampleRemove(sample_key=None)#

Remove selected sample in hklpy.

Parameters:

sample_key (string, optional) – Name of the sample as set in hklpy. If None it will ask for which sample.

id4_common.utils.hkl_utils_new.or_swap()#

Swaps the two orientation reflections in hklpy.

id4_common.utils.hkl_utils_new.calc_UB(r1, r2, wavelength=None, output=False)#

Compute the UB matrix with two reflections.

Parameters:

  • r1 (hklpy reflections) – Orienting reflections from hklpy.

  • r2 (hklpy reflections) – Orienting reflections from hklpy.

  • wavelength (float, optional) – This is not used…

  • output (boolean) – Toggle to decide whether to print the UB matrix.

id4_common.utils.hkl_utils_new.compute_UB()#

Calculates the UB matrix.

This fixes one issue with the hklpy calc_UB in that using wh() right after will not work, it needs to run one calculation first.

Parameters:

  • h (float, optional) – Values of H, K, L positions for current reflection. If None, it will ask for it.

  • k (float, optional) – Values of H, K, L positions for current reflection. If None, it will ask for it.

  • l (float, optional) – Values of H, K, L positions for current reflection. If None, it will ask for it.

id4_common.utils.hkl_utils_new.setor0()#

Sets the primary orientation in hklpy2.

Parameters:

  • motors (diffractometer real) – Values of motor positions for current reflection. It will ask for it.

  • h (float, optional) – Values of H, K, L positions for current reflection. It will ask for it.

  • k (float, optional) – Values of H, K, L positions for current reflection. It will ask for it.

  • l (float, optional) – Values of H, K, L positions for current reflection. It will ask for it.

id4_common.utils.hkl_utils_new.setor1()#

Sets the primary orientation in hklpy2.

Parameters:

  • motors (diffractometer real) – Values of motor positions for current reflection. It will ask for it.

  • h (float, optional) – Values of H, K, L positions for current reflection. It will ask for it.

  • k (float, optional) – Values of H, K, L positions for current reflection. It will ask for it.

  • l (float, optional) – Values of H, K, L positions for current reflection. It will ask for it.

id4_common.utils.hkl_utils_new.or0(h=None, k=None, l=None)#

Sets the primary orientation in hklpy2 using the current motor positions.

Parameters:

  • h (float, optional) – Values of H, K, L positions for current reflection. If None, it will ask for it.

  • k (float, optional) – Values of H, K, L positions for current reflection. If None, it will ask for it.

  • l (float, optional) – Values of H, K, L positions for current reflection. If None, it will ask for it.

id4_common.utils.hkl_utils_new.or1(h=None, k=None, l=None)#

Sets the secondary orientation in hklpy2 using the current motor positions.

Parameters:

  • h (float, optional) – Values of H, K, L positions for current reflection. If None, it will ask for it.

  • k (float, optional) – Values of H, K, L positions for current reflection. If None, it will ask for it.

  • l (float, optional) – Values of H, K, L positions for current reflection. If None, it will ask for it.

id4_common.utils.hkl_utils_new.set_orienting()#

Change the primary and secondary orienting reflections to existing reflections in the reflection list (hklpy2).

WARNING: Works only with six-circle geometry (fix in progress).

id4_common.utils.hkl_utils_new.del_reflection()#

Delete a reflection from the current sample’s reflection list.

  • Displays reflections like set_orienting()

  • User inputs index number of reflection to delete

  • Orienting reflections (first/second) cannot be deleted

id4_common.utils.hkl_utils_new.list_orienting()#

List the first and second orienting reflections only from the current sample’s reflection list.

id4_common.utils.hkl_utils_new.setmode(mode=None)#

Set the mode of the currently selected diffractometer.

WARNING: This function will only work with six circles. This will be fixed in future releases.

Parameters:

mode (string, optional) – Mode to be selected. If None, it will ask.

id4_common.utils.hkl_utils_new.ca(h, k, l)#

Calculate the motors position of a reflection.

Parameters:

  • h (float) – H, K, and L values.

  • k (float) – H, K, and L values.

  • l (float) – H, K, and L values.

id4_common.utils.hkl_utils_new.ubr(h, k, l)#

Move the motors to a reciprocal space point.

Parameters:

  • h (float) – H, K, and L values.

  • k (float) – H, K, and L values.

  • l (float) – H, K, and L values.

id4_common.utils.hkl_utils_new.br(h, k, l)#

Move the motors to a reciprocal space point.

Parameters:

  • h (float) – H, K, and L values.

  • k (float) – H, K, and L values.

  • l (float) – H, K, and L values.

Return type:

Generator for the bluesky Run Engine.

id4_common.utils.hkl_utils_new.uan(*args)#

Moves the delta and eta motors.

WARNING: This function will only work with six circles. This will be fixed in future releases.

Parameters:

  • delta (float, optional??) – Delta and eta motor angles to be moved to.

  • eta (float, optional??) – Delta and eta motor angles to be moved to.

id4_common.utils.hkl_utils_new.an(*args)#

Moves the delta and theta motors.

WARNING: This function will only work with six circles. This will be fixed in future releases.

Parameters:

  • delta (float, optional??) – Delta and th motor angles to be moved to.

  • th (float, optional??) – Delta and th motor angles to be moved to.

Return type:

Generator for the bluesky Run Engine.

id4_common.utils.hkl_utils_new.setlat(*args)#

Set the lattice constants for the current sample.

Parameters:

  • a (float, optional) – Lattice constants. - If all 6 are provided as arguments, they are used directly. - If none are provided, the user will be prompted interactively.

  • b (float, optional) – Lattice constants. - If all 6 are provided as arguments, they are used directly. - If none are provided, the user will be prompted interactively.

  • c (float, optional) – Lattice constants. - If all 6 are provided as arguments, they are used directly. - If none are provided, the user will be prompted interactively.

  • alpha (float, optional) – Lattice constants. - If all 6 are provided as arguments, they are used directly. - If none are provided, the user will be prompted interactively.

  • beta (float, optional) – Lattice constants. - If all 6 are provided as arguments, they are used directly. - If none are provided, the user will be prompted interactively.

  • gamma (float, optional) – Lattice constants. - If all 6 are provided as arguments, they are used directly. - If none are provided, the user will be prompted interactively.

Notes

If two orienting reflections are defined, UB will be recomputed automatically.

id4_common.utils.hkl_utils_new.setaz(*args)#

Set the azimuthal reference reflection (h2, k2, l2).

Works differently depending on geometry:

  • 4-circle: uses ‘psi_constant’

  • 6-circle: uses ‘psi_constant_vertical’ and ‘psi_constant_horizontal’

Parameters:

  • h2 (int or float, optional) – Miller indices of the azimuthal reference reflection. - If provided, these are used directly. - If not provided, the user will be prompted interactively.

  • k2 (int or float, optional) – Miller indices of the azimuthal reference reflection. - If provided, these are used directly. - If not provided, the user will be prompted interactively.

  • l2 (int or float, optional) – Miller indices of the azimuthal reference reflection. - If provided, these are used directly. - If not provided, the user will be prompted interactively.

id4_common.utils.hkl_utils_new.freeze_psi(*args)#