rformassspectrometry / CompoundDb

Creating and using (chemical) compound databases
https://rformassspectrometry.github.io/CompoundDb/index.html
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Add an insertCompound function #103

Closed jorainer closed 2 years ago

jorainer commented 2 years ago

Add an insertCompound function that allows adding compounds to an (existing) CompDb. The function should:

The function should be similar to insertSpectra, i.e. have a parameter columns to allow selection of specific columns to insert only.

Pinging @mar-garcia

jorainer commented 2 years ago

Add also a deleteCompound function and add a section to the vignette describing all.