Hi,
I would suggest first creating a task for this, and attaching an
example file to import. The implementation steps would then be as
follows:
1) Create a branch from the 1.3 line for the implementation.
2) Add the file (truncated) to the relax test suite data store.
3) Write a system test for reading this file. This would be
essentially a script that is run, and the contents of the relax data
store can then be checked.
4) Implement the user function prompt interface (easy part).
5) Implement the back end in generic_fns.spectra. This will be
complete once the system test passes.
6) Implementation of the GUI front end.
The hard part would be 5), as this does all the work. It needs to
integrate with and sit along side the other readers behind
spectrum.read_intensities(), using the autodetect_format() function,
and be implemented in the function intensity_bruker(). I have already
written all the infrastructure for supporting this, so it shouldn't be
a too difficult task. The prompt/script user function and GUI setup
would be a very transparent interface to the underlying generic_fns
library. The system test will ensure that this works until eternity
:)
Regards,
Edward
On 30 September 2010 07:11, Michael Bieri <michael.bieri@xxxxxxxxxxxxx> wrote:
Hi Edward
I got some export files from the Bruker Protein Dynamic Center and I am
wondering how we should design the import.
The files consist of everything we will need (sequence, type, field
strength, assignments, intensities, R1/R2/Noe).
I can start coding import in the GUI; basically extract the data and
create dummy-peak lists. Then, everything works as usual. Do you have
any preference about the prompt import or should we just use the same
(just a command like 'bruk.import(file)') ?
We don't have to care about the spin systems, as it is originating from
protein dynamic center, which means that there will only be protein data.
I will upload the files once we have a concept.
Cheers
Michael
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Re: Bruker Protein Dynamic Center Import