structure_factor_utils.structure_factor.ElasticNeutronFactor

class structure_factor_utils.structure_factor.ElasticNeutronFactor(name, atoms)

Implements StructureFactor for elastic neutron scattering

Methods

`__init__`(name, atoms)	Constructor method
`from_cif`(cif_path)	Instantiates `StructureFactor` with data from the `.cif` or `.mcif` file.
`get_form_factor`(scattering_vector)	Calculates the neutron magnetic form factor for a given scattering vector
`get_sf_norm`(scattering_vector)	Calculates norm of structure factor given a scattering vector
`get_structure_factor`(scattering_vector)	Calculates the elastic neutron scattering structure factor for a given scattering vector

classmethod from_cif(cif_path)

Instantiates StructureFactor with data from the .cif or .mcif file.

A finite state machine is used to read file data.

get_form_factor(scattering_vector)

Calculates the neutron magnetic form factor for a given scattering vector

Parameters:: scattering_vector (tuple[float, float, float]) – reciprocal space scattering vector, in reciprocal lattice basis
Returns:: neutron magnetic form factor
Return type:: float

get_sf_norm(scattering_vector) → float

Calculates norm of structure factor given a scattering vector

Note

Implementations of get_structure_factor() that return vectors must use a Cartesian basis for valid get_sf_norm().

Parameters:: scattering_vector (tuple[float, float, float]) – reciprocal space scattering vector, in reciprocal lattice basis
Returns:: norm of the structure factor
Return type:: float

get_structure_factor(scattering_vector) → tuple[float, float, float]

Calculates the elastic neutron scattering structure factor for a given scattering vector

Parameters:: scattering_vector (tuple[float, float, float]) – reciprocal space scattering vector, in reciprocal lattice basis
Returns:: complex three-valued elastic neutron scattering structure factor
Return type:: tuple[float, float, float]