Feature/DIMS_DrugDB - #128
Open
mraves2 wants to merge 10 commits into
Open
Conversation
…ut in DIMS/export/generate_excel_functions.R
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
1 participant
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Naast annotatie van piekgroepen op basis van metabolieten in de HMDB is nu ook de DrugDB ingebouwd. Drug metabolieten hebben een ID die begint met CHEMBL; op basis daarvan wordt een apart Excel bestand gemaakt en een extra tabel van drugs met de meest afwijkende Z-scores in de vioolplotjes PDF.
De stap GenerateExcel is gerefactored; er zijn twee nieuwe functies bijgekomen in export/generate_excel_functions.R waarvoor ook unit tests zijn geschreven. GenerateExcel.R is hierdoor overzichtelijker geworden, hoewel het waarschijnlijk nog verder geoptimaliseerd kan worden.