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Update structuretoolkit to 0.0.7 #1119

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merged 2 commits into from
Sep 5, 2023
Merged

Update structuretoolkit to 0.0.7 #1119

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b7241f2
Update structuretoolkit to 0.0.7
jan-janssen Jul 24, 2023
0922f60
Merge branch 'main' into structuretoolkit_update
jan-janssen Sep 5, 2023
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2 changes: 1 addition & 1 deletion .ci_support/environment.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -22,4 +22,4 @@ dependencies:
- scipy =1.11.2
- seekpath =2.1.0
- spglib =2.0.2
- structuretoolkit =0.0.9
- structuretoolkit =0.0.9
4 changes: 2 additions & 2 deletions pyiron_atomistics/atomistics/structure/factory.py
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Expand Up @@ -29,6 +29,7 @@
high_index_surface,
get_high_index_surface_info,
)
from structuretoolkit.common import pymatgen_read_from_file
from pyiron_atomistics.atomistics.structure.factories.ase import AseFactory
from pyiron_atomistics.atomistics.structure.factories.atomsk import (
AtomskFactory,
Expand All @@ -49,7 +50,6 @@
pymatgen_to_pyiron,
ovito_to_pyiron,
)
from pymatgen.core import Structure
from pyiron_atomistics.atomistics.structure.periodic_table import PeriodicTable
from pyiron_base import state, PyironFactory, deprecate
import types
Expand Down Expand Up @@ -119,7 +119,7 @@ def read(self, *args, **kwargs):
read.__doc__ = AseFactory.read.__doc__

def read_using_pymatgen(self, *args, **kwargs):
return pymatgen_to_pyiron(Structure.from_file(*args, **kwargs))
return ase_to_pyiron(pymatgen_read_from_file(*args, **kwargs))

def read_using_ase(self, *args, **kwargs):
return self.ase.read(*args, **kwargs)
Expand Down