11224862873

Committed 07 Oct 2024 10:16PM UTC coverage: 82.876%. Remained the same

Build Type

github

Committed by

Commit Message

Merge a08d47eb8 into 119a584b2

Run Details

1539 of 1857 relevant lines covered (82.88%)

0.83 hits per line

Source File
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83.33

/structuretoolkit/common/pymatgen.py

1	from ase.atoms import Atoms	1✔
2
3
4	def ase_to_pymatgen(structure: Atoms):	1✔
5	from pymatgen.io.ase import AseAtomsAdaptor	1✔
6
7	adapter = AseAtomsAdaptor()	1✔
8	return adapter.get_structure(atoms=structure)	1✔
9
10
11	def pymatgen_to_ase(structure) -> Atoms:	1✔
12	from pymatgen.io.ase import AseAtomsAdaptor	1✔
13
14	adapter = AseAtomsAdaptor()	1✔
15	return adapter.get_atoms(structure=structure)	1✔
16
17
18	def pymatgen_read_from_file(args, *kwargs) -> Atoms:	1✔
19	from pymatgen.core import Structure	×
20
21	return pymatgen_to_ase(structure=Structure.from_file(args, *kwargs))	×