Hi Wim
Here is an update of where I am and what I have found and a couple of questions
so the place where it all happens is setPeakFilePeakDimInfo in
ccpnmr.format.converters.NmrViewFormat which has the following comment and
code :
#
# Transfer assignment - TODO: currently lose information on specific
assignment (peakContrib) items here!
#
peakDimContribs = self.peakDim.peakDimContribs
so this all makes sense as what we get is what this says ;-)
now some questions
1. we have two class hierachys ccp/format and ccpnmr/format/converters,
what are the separation of concerns here? Does the first covers all the
interaction with the file formats and the second handles all the interaction
with ccpn data-model ?
2. I was slightly confused if not decoyed by all the stuff in
ccpnmr.format.converters.DataFormat.py specifically it builds a whole load
of resonanceToAtom instances in setPeakAssignmentList (which it puts in
self.peakAssignmentList) and then never seems to use them and in
ccpnmr.format.converters.NmrViewFormat dips straight into the data-model. Is
this because the NmrView conversion code predates this data structure and
hasn't been updated yet?
3. what is the best way to go here? Is it to iterate over the data-model and
use the peakContribs or to use the resonanceToAtoms in self.peakAssignmentList
regards
gary
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