KLIFS: Drop remotely unavailable structures from local database

[dominiquesydow]

Description

When using the local module of opencadd.databases.klifs, we still query for KLIFS IDs (structure/ligand/kinase) remotely because those data points are not provided locally in the KLIFS download files.

If the local download contains structures that are not part of the database --- say you have downloaded data from https://klifs.net/ but our package calls https://dev.klifs.net/ --- you currently get a SwaggerMappingError.

We will contact the KLIFS maintainers (#105) and add an try-except clause that will drop all local structures that are not available remotely

Todos

Notable points that this PR has either accomplished or will accomplish.

• Add try-except clause to opencadd.databases.klifs.local._LocalDatabaseGenerator._add_klifs_ids
• Add ERROR to logging, so that missing structures are reported and can be checked out

Questions

None

Status

• Ready to go

[codecov-commenter]

Codecov Report

Merging #106 (d8d6a6e) into master (cdd450b) will decrease coverage by 0.14%.
The diff coverage is 18.18%.