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For CN below 4, make sure you assign "None" in coordination.py for the method before computing the geometric data.
exceptException:
print(f"Error in determining polyhedron for {label} using {method} - skipped")
site_data[label][method] =Nonecontinue# Move to the next method
And when you find the avg, min, max, make sure you have
The text was updated successfully, but these errors were encountered:
if len(connection_data) > 3:
for connection in connection_data:
polyhedron_points.append(connection[3])
else:
continue
Only when the connections_data > 3, the function polyhedron points are calculated. Then,
# Try to make a polyhedron
try:
hull = ConvexHull(polyhedron_points)
except Exception:
print(
f"Error in determining polyhedron for {label} using {method} - skipped"
)
continue # Move to the next method
For CN below 4, make sure you assign "None" in
coordination.py
for the method before computing the geometric data.And when you find the avg, min, max, make sure you have
The text was updated successfully, but these errors were encountered: