matminer.distance_metrics package

Submodules

matminer.distance_metrics.site module

THIS IS CURRENTLY JUST HOSTING LEGACY CODE.

It will soon be refactored / changed based on some discussions.

  • Anubhav (12/7/17)
matminer.distance_metrics.site.get_tet_bcc_motif(structure, idx)

Convenience class-method from Nils Zimmermann. Used to distinguish coordination environment in half-Heuslers. Args:

structure (pymatgen Structure): the target structure to evaluate idx (index): the site index in the structure
Returns:
(str) that describes site coordination enviornment
‘bcc’ ‘tet’ ‘unrecognized’

matminer.distance_metrics.structure module

THIS IS CURRENTLY JUST HOSTING LEGACY CODE.

It will soon be refactored / changed based on some discussions.

  • Anubhav (12/7/17)
matminer.distance_metrics.structure.get_structure_distance(s1, s2, preset_name='cn')

Compute structure distance using an alternate (test) algorithm. Docs are minimal for now.

Module contents