Skip to main content
Topic: [Patch] Pluggable backends for xcms (Read 5712 times) previous topic - next topic

[Patch] Pluggable backends for xcms

This is a repost of a previous comment; I'd like to resubmit it for consideration.

I've created a Git repository with my changes here. The essence of my changes is to remove the hard-coded reliance on mzR reading files and replace it with an S4 generic class called xcmsSource. The only requirement is that classes implementing xcmsSource provide a loadRaw method which returns a list in the same format as netCDFRawData and rampRawData.

The filename argument to the xcmsRaw function need no longer be a character string (though it still can be), but can be any object with an xcmsSource method defined. The resulting xcmsSource object is still stored in the @filename slot of xcmsRaw objects for backwards compatibility. In fact, this branch is a drop-in replacement for the old one: R CMD check passes with flying colors.

I'd like to see these changes upstream, and am happy to make any improvements necessary for my code to be acceptable to include.

Re: [Patch] Pluggable backends for xcms

Reply #1
HI,

I very much like the idea, and will look at it.
I propose to wait for the next devel release
to merge it.

Ralf, comments ?

Yours,
Steffen
--
IPB Halle                          Mass spectrometry & Bioinformatics
Dr. Steffen Neumann         http://www.IPB-Halle.DE
Weinberg 3 06120 Halle     Tel. +49 (0) 345 5582 - 1470
sneumann(at)IPB-Halle.DE

Re: [Patch] Pluggable backends for xcms

Reply #2
Sounds good. I'll have a look at it.

Re: [Patch] Pluggable backends for xcms

Reply #3
Hi Ralf,

did you have a chance to look at the patch ? To me the only thing left to think about is that this
would be a chance to have a generic mechanism which helps storing and pushing xcmsSource parameters from xcmsSet
down to xcmsRaw, i.e. not just a filepath, but also stuff like scanrange and/or positive/negative selection,
instead of having all of them explicitely as an xcmsSet parameter, and one slot for each of them in the xcmsSet object.

Yours,
Steffen
--
IPB Halle                          Mass spectrometry & Bioinformatics
Dr. Steffen Neumann         http://www.IPB-Halle.DE
Weinberg 3 06120 Halle     Tel. +49 (0) 345 5582 - 1470
sneumann(at)IPB-Halle.DE

Re: [Patch] Pluggable backends for xcms

Reply #4
Hi Steffen,

sounds good. Please just go ahead and push to development version then !

Regards,
Ralf