Move occ_tol
to init in OrderDisorderedStructureTransformation
#4274
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Summary
Major changes:
OrderDisorderedStructureTransformation
andStandardTransmuter
:occ_tol
was a method parameter inapply_transformation
, making it unconfigurable when used withStandardTransmuter
(which only passes transformation and optionallyextend_collection
parameters when callingappend_transformation
)occ_tol
to class initialization to allow proper configuration when used in transformation chainsChecklist
ruff
.mypy
.duecredit
@due.dcite
decorators to reference relevant papers by DOI (example)Tip: Install
pre-commit
hooks to auto-check types and linting before every commit: