this PR makes the wormLipidPredictR repo a bit more package line.
The PR introduces a central function create_reaction to create the reactions. The type of reaction is specified by a argument, reaction.
It further introduces:
checks for arguments (reaction and substrates)
various helper function that separate the steps within create_reaction for the different reaction types - these were previously included in the individual functions
some speed ups and simplifications when gsub-ing the characters,
smaller fixes of typos and bugs.
Please let me know if this looks good to you!
Next steps IMO would be (to be discussed further):
unit tests,
generalisability to other species,
returning the substrates/products in columns next to the reaction (to use this information for subsequent analysis)
Hi @michaelwitting
this PR makes the
wormLipidPredictR
repo a bit more package line.The PR introduces a central function
create_reaction
to create the reactions. The type of reaction is specified by a argument,reaction
.It further introduces:
reaction
andsubstrates
)create_reaction
for the different reaction types - these were previously included in the individual functionsPlease let me know if this looks good to you!
Next steps IMO would be (to be discussed further):
Best, Thomas