Rasmus Fogh wrote:
>Dear Gary,
>
>Worth thinking about.
>
>Tha background is that we need to allow for assignment to multiple
>resionances, for e.g. J couplings, RDCs, or MQ shifts. But in the vast
>majority of the cases there is only a single shift. We could have had
>multiple resonances in all cases, but deided against it since it would an
>unnecessary pain in the 99% of cases where you only wanted one, and since
>this part of the model is used a lot. Your proposal would combine the
>advantages of both. It would make the model a little more confusing,
>though.
>
>I'll see what TIm says too. To speed the discussion along, could you give
>an example (or more) of when one might want to use this?
>
>Yours,
>
>Rasmus
>
>
>
I am currently checking a peak list for duplicate assignments or subsets
of duplicate assignments on each peak. Now if someone uses it with a
list that has a
peakDimContribN it will die as I do a getResonance and don't check the type (effectively these could both be subclasses of each other in terms of data content ;-) though)
regards
gary
>---------------------------------------------------------------------------
>Dr. Rasmus H. Fogh Email: [log in to unmask]
>Dept. of Biochemistry, University of Cambridge,
>80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002
>
>On Fri, 17 Aug 2007, Gary S. Thompson wrote:
>
>
>
>>Dear Developers
>>
>>Just a passing thought (and if I have said it before or there is an
>>obvious answer I apologise) Iif you are looking at peakDimContribs there
>>are two classes that may be present peakDimContrib and peakDimContribN.
>>Both contain resonances but are accessed differently resonance
>>(peakDimContrib can contain only one resonance) vs resonances so you
>>have to special case. Shouldn't there be a way of getting the resonances
>>in a peakDimContrib irrespective of the type of peakDimContrib...
>>
>>e.g. abstractPeakDimContrib.getAllResonances() for example
>>
>>
>>regards
>>gary
>>
>>
>>
>>--
>>-------------------------------------------------------------------
>>Dr Gary Thompson
>>Astbury Centre for Structural Molecular Biology,
>>University of Leeds, Astbury Building,
>>Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024
>>email: [log in to unmask] Fax +44-113-2331407
>>-------------------------------------------------------------------
>>
>>
>>
>
>.
>
>
>
--
-------------------------------------------------------------------
Dr Gary Thompson
Astbury Centre for Structural Molecular Biology,
University of Leeds, Astbury Building,
Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024
email: [log in to unmask] Fax +44-113-2331407
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