mailRe: [bug #5698] value.set() raises RelaxError in jw runs


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Posted by Edward d'Auvergne on April 07, 2006 - 05:53:
I don't know how this problem arose, but it is simply a missing entry
in the file 'specific_fns/specific_setup.py'.  Chris, as the bug is
assigned to you, would you like to add the appropriate entry?

Edward


On 4/6/06, Chris MacRaild <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:

URL:
  <http://gna.org/bugs/?func=detailitem&item_id=5698>

                 Summary: value.set() raises RelaxError in jw runs
                 Project: relax
            Submitted by: macraild
            Submitted on: Wednesday 04/05/2006 at 14:29
                Category: None
                Priority: 7 - High
                Severity: 4 - Important
                  Status: In Progress
                 Privacy: Public
             Assigned to: macraild
         Originator Name:
        Originator Email:
             Open/Closed: Open
                 Release: Repository: 1.2 line
        Operating System: None

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Details:

Attempts to set parameters (CSA, bond_length, etc) with value.set() in jw 
run
types raises the following error:

relax> value.set(run='jw', value=1.0200000000000001e-10, 
param='bond_length',
res_num=None, res_name=None)
Function type: 'jw'
Eqi: 'return_data_name'
Traceback (most recent call last):
  File "jw_mapping.py", line 27, in ?
    value.set(name, 1.02 * 1e-10, 'bond_length')
  File "/home/chris/relax_devel/1.2/prompt/value.py", line 429, in set
    self.__relax__.generic.value.set(run=run, value=value, param=param,
res_num=res_num, res_name=res_name)
  File "/home/chris/relax_devel/1.2/generic_fns/value.py", line 284, in set
    self.return_data_name =
self.relax.specific_setup.setup('return_data_name', self.function_type)
  File "/home/chris/relax_devel/1.2/specific_fns/specific_setup.py", line
104, in setup
    raise RelaxFuncSetupError, self.get_string(function_type)
RelaxFuncSetupError: RelaxError: This function is not available for reduced
spectral density mapping.


This breaks the jw_mapping.py sample script, among other things.

The work-around is use value.copy() to copy parameter values from a
model-free run






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