Merge cli, some enhancements and minor bug fixes#78

Merged

maylinnp merged 24 commits into

May 13, 2026

Commits on Oct 22, 2025

rewritten compare db script, now stores bookmark of approved ligands in all databases, and export options will occur for each database specified. No longer a main database, all are valid. Removed e…
maylinnp
committed

Commits on Oct 23, 2025

update docs and doc strings
maylinnp
committed

Commits on Oct 24, 2025

add option to store only one pose per ligand when comparing
maylinnp
committed

Commits on Feb 9, 2026

add improved export database method
maylinnp
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Commits on Feb 23, 2026

Commits on Mar 3, 2026

ensure committing before vacuuming
maylinnp
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Commits on Mar 13, 2026

add option to not finalize merge job by reindexing
maylinnp
committed

Commits on Mar 16, 2026

Commits on Mar 23, 2026

return error codes
maylinnp
committed

Commits on May 1, 2026

bug fix: only make output log if requested
maylinnp
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Commits on May 3, 2026

remove unnecessary class attributes for database write
maylinnp
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Commits on May 5, 2026

add method stubs
maylinnp
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Commits on May 6, 2026

actually use the dont finalize flag
maylinnp
committed

Commits on May 8, 2026

remove useless indices, and improve index handling during merge
maylinnp
committed

Commits on May 12, 2026