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.