diffpy.utils.scattering_objects package

Scattering objects

Submodules

diffpy.utils.scattering_objects.user_config module

diffpy.utils.scattering_objects.user_config.find_conf_file()

diffpy.utils.scattering_objects.user_config.read_conf_file()

diffpy.utils.scattering_objects.user_config.write_conf_file(username, email)

diffpy.utils.scattering_objects.diffraction_objects module

class diffpy.utils.scattering_objects.diffraction_objects.Diffraction_object(name='', wavelength=None)

Bases: object

dump(filepath, xtype=None)

get_angle_index(angle)

insert_scattering_quantity(xarray, yarray, xtype, metadata={}, scat_quantity=None, name=None, wavelength=None)

on_xtype(xtype)

return a 2D np array with x in the first column and y in the second for x of type type :param xtype:

q_to_tth()

Helper function to convert q to two-theta.

By definition the relationship is:

\[\sin\left(\frac{2\theta}{2}\right) = \frac{\lambda q}{4 \pi}\]

thus

\[2\theta_n = 2 \arcsin\left(\frac{\lambda q}{4 \pi}\right)\]

Parameters:

• q (array) – An array of \(q\) values

• wavelength (float) – Wavelength of the incoming x-rays

• developers (Function adapted from scikit-beam. Thanks to those)

Returns:

two_theta – An array of \(2\theta\) values in radians

Return type:

array

scale_to(target_diff_object, xtype=None, xvalue=None)

set_all_arrays()

set_angles_from_list(angles_list)

set_angles_from_range(begin_angle, end_angle, step_size=None, n_steps=None)

create an array of linear spaced angle-values

Parameters:

• float (step_size) – the beginning angle

• float – the ending angle

• float – the size of the step between points. Only specify step_size or n_steps, not both

• integer (n_steps) – the number of steps. Odd numbers are preferred. Only specify step_size or n_steps, not both

Returns:

• Sets self.angles

• self.angles array of floats – the q values in the independent array

set_qs_from_range(begin_q, end_q, step_size=None, n_steps=None)

create an array of linear spaced Q-values

Parameters:

• float (step_size) – the beginning angle

• float – the ending angle

• float – the size of the step between points. Only specify step_size or n_steps, not both

• integer (n_steps) – the number of steps. Odd numbers are preferred. Only specify step_size or n_steps, not both

Returns:

• Sets self.qs

• self.qs array of floats – the q values in the independent array

tth_to_q()

Helper function to convert two-theta to q

By definition the relationship is

\[\sin\left(\frac{2\theta}{2}\right) = \frac{\lambda q}{4 \pi}\]

thus

\[q = \frac{4 \pi \sin\left(\frac{2\theta}{2}\right)}{\lambda}\]

Parameters:

• two_theta (array) – An array of \(2\theta\) values in units of degrees

• wavelength (float) – Wavelength of the incoming x-rays

• developers. (Function adapted from scikit-beam. Thanks to those)

Returns:

q – An array of \(q\) values in the inverse of the units of wavelength

Return type:

array