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Fix ci #134

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merged 2 commits into from
Jul 10, 2024
Merged

Fix ci #134

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96bf4c0
import atomman when needed
srmnitc Jul 10, 2024
1c291c3
change atomman import
srmnitc Jul 10, 2024
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20 changes: 16 additions & 4 deletions atomrdf/structure.py
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Original file line number Diff line number Diff line change
Expand Up @@ -34,10 +34,6 @@
from rdflib import Graph, Namespace, XSD, RDF, RDFS, BNode, URIRef
from atomrdf.namespace import CMSO, LDO, PLDO, PODO, UNSAFEASMO, UNSAFECMSO, PROV, Literal

from atomman.defect.Dislocation import Dislocation
import atomman as am
import atomman.unitconvert as uc

# read element data file
file_location = os.path.dirname(__file__).split("/")
file_location = "/".join(file_location[:-1])
Expand Down Expand Up @@ -253,7 +249,16 @@ def _make_dislocation(
The dislocation_type parameter can be set to "monopole" or "periodicarray". If set to "monopole", a single dislocation
will be generated. If set to "periodicarray", a periodic array of dislocations will be generated.

Needs atomman.
"""

try:
from atomman.defect.Dislocation import Dislocation
import atomman as am
import atomman.unitconvert as uc
except ImportError:
raise ImportError("This function requires the atomman package to be installed")

slip_direction = slip_system[0]
slip_plane = slip_system[1]
if burgers_vector is None:
Expand Down Expand Up @@ -2100,6 +2105,13 @@ def add_gb(self, gb_dict):


def rotate(self, rotation_vectors, graph=None, label=None):
try:
from atomman.defect.Dislocation import Dislocation
import atomman as am
import atomman.unitconvert as uc
except ImportError:
raise ImportError("This function requires the atomman package to be installed")

box = am.Box(
avect=self.box[0],
bvect=self.box[1],
Expand Down
2 changes: 1 addition & 1 deletion environment.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -15,7 +15,7 @@ dependencies:
- owlready2
- plotly
- ipywidgets
- atomman
#- atomman
- mp-api
- sqlalchemy
- pip:
Expand Down
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