Oliver Alka
Oliver Alka
@24sharkS Nice work - thanks a lot! Could you please merge develop to be up to date and have a look at the style issues (https://github.com/OpenMS/OpenMS/pull/5226/checks?check_run_id=2093294196).
@Leon-Bichmann @24sharkS I am a little bit out of the loop - sorry -, what is still missing here?
@tjeerdijk What is left to do here? Working on style fixes, but in general, this one is ready to merge, or?
The other CodeFactor issues are due to the use of python single tuples, which have a trailing ",". e.g. ``` def get_base_types(self): return ("DPosition2",) ``` I guess that should be...
I think if possible we should merge this for Release 2.7, to have automated R bindings for the most used classes.
> * We changed quite a bit on the pyOpenMS side. Is this still up to date? That is a good question, which I can not yet answer - hopefully,...
@tjeerdijk Where you able to have a look at this PR and test it?
Why is the Github action shown as success, even if build failed on all platforms? e.g. https://github.com/OpenMS/OpenMS/actions/runs/921576251
This is about the `ChromatogramPeak::getMZ()` which actually returns the retention time. ``` /// Alias for getRT() inline CoordinateType getMZ() const { return position_[0]; } ``` https://github.com/OpenMS/OpenMS/blob/develop/src/openms/include/OpenMS/KERNEL/ChromatogramPeak.h#L138
I think a lot of preparation in terms of retrieving the annotation and storing it as a spectrum is already done here: https://github.com/OpenMS/OpenMS/blob/develop/src/tests/class_tests/openms/source/SiriusFragmentAnnotation_test.cpp https://github.com/OpenMS/OpenMS/blob/develop/src/openms/source/FORMAT/DATAACCESS/SiriusFragmentAnnotation.cpp#L47 The `annotated_msspectrum.getNativeID()` stores the information about...