The API Reference¶
-
class
neutronbraggedge.braggedge.BraggEdge(material=None, new_material=None, number_of_bragg_edges=10, use_local_metadata_table=True)[source]¶ This is from where the user will retrieve all metadata and calculation
Variables:
From python, first you need to import the package>>> from braggedge.braggedge import BraggEdge
- For a particular element you can retrieve:
- lattice parameter
- h, k and l values
- Crystal structure
- bragg edges values
For this example, we are retrieving the data for Fe and we are only interested by the first 4 crystal orientation.
>>> _handler = BraggEdge(material = 'Fe', number_of_bragg_edges = 4) >>> print("Crystal Structure is: %s" %_handler.metadata['cyrstal_structure])) 'BCC' >>> print("Lattice is %.2f" %_handler.metadata['lattice']) 2.87 >>> print("hkl are: " , _handler.hkl) hkl are: [][1,1,0],[2,0,0],[2,1,1],[2,2,0]] >>> print("bragg edges are: ", _handler.bragg_edges) bragg edges are: [2.0268, 1.4332, 1.1702, 1.0134]
It is also possible to display all metadata at once
>>> print(_handler) =================================== Material: Fe Lattice: 2.8664A Crystal Structure: BCC Using local metadata Table: True =================================== h | k | l | d(A) | BraggEdge =================================== 1 | 1 | 0 | 2.0269 | 4.0537 2 | 0 | 0 | 1.4332 | 2.8664 2 | 1 | 1 | 1.1702 | 2.3404 2 | 2 | 0 | 1.0134 | 2.0269 ===================================
Then you can export the resulting metadata into a CSV file
>>> _handler.export(filename = 'my_file_name.txt')