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Update openbabel_helpers.py - #534

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rolan701 merged 5 commits into
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rolan701-patch-26
Mar 2, 2026
Merged

Update openbabel_helpers.py#534
rolan701 merged 5 commits into
mainfrom
rolan701-patch-26

[pre-commit.ci] auto fixes from pre-commit hooks

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GitHub Advanced Security / CodeQL succeeded Mar 2, 2026 in 8s

5 new alerts

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Check failure on line 473 in molSimplify/Scripts/enhanced_structgen.py

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Code scanning / CodeQL

Potentially uninitialized local variable Error

Local variable 'core3D' may be used before it is initialized.

Check failure on line 473 in molSimplify/Scripts/enhanced_structgen.py

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Code scanning / CodeQL

Potentially uninitialized local variable Error

Local variable 'per_atom_ff_force' may be used before it is initialized.

Check failure on line 473 in molSimplify/Scripts/enhanced_structgen.py

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Code scanning / CodeQL

Potentially uninitialized local variable Error

Local variable 'optimized_coords' may be used before it is initialized.

Check failure on line 934 in molSimplify/Scripts/enhanced_structgen.py

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Code scanning / CodeQL

Potentially uninitialized local variable Error

Local variable 'per_atom_ff_force' may be used before it is initialized.

Check notice on line 3300 in molSimplify/Scripts/enhanced_structgen_functionality.py

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Code scanning / CodeQL

Unused local variable Note

Variable core3D is not used.

Check notice on line 3431 in molSimplify/Scripts/enhanced_structgen_functionality.py

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Code scanning / CodeQL

Unused local variable Note

Variable core3D is not used.

Check notice on line 217 in molSimplify/utils/openbabel_helpers.py

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Code scanning / CodeQL

Empty except Note

'except' clause does nothing but pass and there is no explanatory comment.

Check notice on line 341 in molSimplify/utils/openbabel_helpers.py

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Code scanning / CodeQL

Empty except Note

'except' clause does nothing but pass and there is no explanatory comment.

Check notice on line 426 in molSimplify/utils/openbabel_helpers.py

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Code scanning / CodeQL

Empty except Note

'except' clause does nothing but pass and there is no explanatory comment.