Make uei_count optional

[johandahlberg]

Description

Make the uei_count column optional.

Fixes: pna-3264

Type of change

• New feature (non-breaking change which adds functionality)

How Has This Been Tested?

With the associated unit tests.

PR checklist:

• This comment contains a description of changes (with reason).
• I have performed a self-review of my own code
• I have made corresponding changes to the documentation
• My changes generate no new warnings
• I have added tests that prove my fix is effective or that my feature works
• If a new tool or package is included, I have updated dependencies in pyproject.toml and cited it properly
• I have checked my code and documentation and corrected any misspellings
• I have documented any significant changes to the code in CHANGELOG.md

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Note

Low Risk
Backward-compatible schema relaxation with localized DuckDB/SQL branching; behavior when uei_count is present is unchanged, and molecule counts without it use edge count as documented.

Overview
uei_count is now optional on PNA edgelists in sample calling and graph component recovery. Edgelists that omit the column no longer fail on hard-coded SUM(uei_count) or SELECT lists.

Shared helpers has_uei_count (DuckDB DESCRIBE) and n_molecules_sql (SUM(uei_count) vs COUNT(*)) drive the behavior. Graph recovery uses them for molecule totals in get_count_statistics, PXL build stats, and create_working_edgelist (the column is dropped from the working parquet when missing). Sample calling builds the dehashed edgelist COPY without uei_count when it is not present.

CHANGELOG documents the change under Unreleased. Unit tests cover stats, working edgelist shape, and end-to-end sample calling without uei_count.

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[ptajvar]

LGTM!