removeFailedStructures: Remove structures where isotope generation failed.

Description Usage Arguments See Also

View source: R/oxy-db_extended.R

Description

Sometimes if a run crashes, or a structure is bugged somehow, it is still registered as 'done' in the extended database and cannot be redone. This function removes these structures. Warning: slow!

Usage

1
removeFailedStructures(outfolder, ext.dbname = "extended")

Arguments

outfolder

Which folder are your databases in?

ext.dbname

Extended database name (without .db suffix), Default: 'extended'

See Also

SQLite


MetaDBparse documentation built on May 3, 2021, 5:09 p.m.