helprelax - Support: sr #3078, Parse spin.model names to the...

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sr #3078: Parse spin.model names to the value.write user function.

Submitted by:  Troels E. Linnet <tlinnet>
Submitted on:  Tue Sep 10 13:58:24 2013  
Category: NonePriority: 5 - Normal
Severity: 3 - NormalStatus: Done
Assigned to: Edward d Auvergne <bugman>Open/Closed: Closed
Operating System: None

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Thu Dec 5 16:26:47 2013, comment #5:

This was solved in r21261. You can see how trivial this fix was at:

I'll close this.

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Thu Dec 5 16:19:01 2013, comment #4:

Hi Edward.

Was this solved?

Troels E. Linnet <tlinnet>
Project Member
Wed Sep 11 07:08:59 2013, comment #3:

Hi Edward. Could this system test be implemented.

It will help solve the bug:
It seems value.write does not accept list of model parameters.

self.interpreter.value.write(param=['model','kex'], file=self.tmpfile, dir=None, force=True)

It expects a string as input.


Troels E. Linnet <tlinnet>
Project Member
Tue Sep 10 14:29:47 2013, comment #2:

Adding systemtest for testing the spin.model in the value.write

(file #18958)

Troels E. Linnet <tlinnet>
Project Member
Tue Sep 10 14:22:56 2013, comment #1:

Hi Edward.

You suggested:
value.write(param='model', file=...

but that would create a new file for writing out the models ?

I would like to have the model information included when you write out a parameter like 'kex'.

In the same way that you have for example for kex:
mol_name res_num res_name spin_num spin_name value error

I would like to also include spin_model

The reason for this, is that in the "final" run, you would have one kex.out file, with a mixup of the different models.

Troels E. Linnet <tlinnet>
Project Member
Tue Sep 10 13:58:24 2013, original submission:


It should be possible to modify the value.write user function to
handle the spin.model.

Troels E. Linnet <tlinnet>
Project Member


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    Follow 4 latest changes.

    Date Changed By Updated Field Previous Value => Replaced By
    Thu Dec 5 16:26:47 2013bugmanStatusNone=>Done
      Assigned toNone=>bugman
    Tue Sep 10 14:29:47 2013tlinnetAttached File-=>Added 0001-Created-system-test-for-writing-out-the-spin.model-t.patch, #18958
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