Fix 17 mutable default arguments across 8 files#196
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stef41 wants to merge 1 commit intousnistgov:mainfrom
Open
Fix 17 mutable default arguments across 8 files#196stef41 wants to merge 1 commit intousnistgov:mainfrom
stef41 wants to merge 1 commit intousnistgov:mainfrom
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Replace mutable default arguments (=[], ={}) with None and
initialize inside the function body. Mutable defaults are shared
between calls and can cause subtle bugs.
Affected files:
- alignn/models/ (alignn_atomwise, alignn_ff, utils)
- alignn/ (config, graphs, ff/ff_optb88vdw)
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Summary
17 function signatures across 8 files use mutable default arguments (
=[],={}), which is a well-known Python anti-pattern. Mutable defaults are evaluated once at function definition time and shared across all calls, so data from one invocation can silently persist into the next.Changes
Replaced mutable defaults with
Noneand addedif param is None: param = ...initialization guards.Affected modules
alignn/models/(alignn_atomwise, alignn_ff, utils)alignn/(config, graphs)alignn/ff/All modified files pass
python -m py_compile.