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MassBank / RMassBank

Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html
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Creating more flexible structure in AC$CHROMATOGRAPHY to allow for third SOLVENT #279

Closed pstahlhofen closed 3 years ago

pstahlhofen commented 3 years ago

For compliance with the record format and better flexibility, users should be able to add a third SOLVENT in AC$CHROMATOGRAPHY. The issue is described in #176

sneumann commented 3 years ago

Another comment, but no solution: could there be a helper function to simplify the buildRecord that hides the unlisting ? Takes the properties list-list, and spits out lines ? Is there a simple way to add a unit test for the above change ? Hm, that test would need a defined cpd input and some getOption("RMassBank")$annotations$... from an ini file. Yours, Steffen

pstahlhofen commented 3 years ago

Alright I'll put it in a method

sneumann commented 3 years ago

Thanks, looks good to me. Yours, Steffen