Merged revisions 18043-18048 via svnmerge from
svn+ssh://bugman@svn.gna.org/svn/relax/trunk

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r18043 | bugman | 2012-11-30 10:54:48 +0100 (Fri, 30 Nov 2012) | 5 lines

Created the N_state_model.test_absolute_rdc_menthol system test to demonstrate a pseudo-atom failure.

This is a test of the long range, absolute RDCs for menthol.
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r18044 | bugman | 2012-11-30 10:58:01 +0100 (Fri, 30 Nov 2012) | 7 lines

Bug fix for the use of pseudo-atoms for RDCs in the N-state model analysis.

If the second atom of the pair in the intermolecular data container holding the RDC data was a
pseudo-atom, then the N-state model optimisation setup would fail. Now both the first and second
atoms being pseudo-atoms is supported.
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r18045 | bugman | 2012-11-30 11:03:20 +0100 (Fri, 30 Nov 2012) | 3 lines

Fixes for the N_state_model.test_absolute_rdc_menthol system test checks to match the data.
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r18046 | bugman | 2012-11-30 11:17:02 +0100 (Fri, 30 Nov 2012) | 3 lines

Added a check for the second Q factor in the N_state_model.test_absolute_rdc_menthol system test.
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r18047 | bugman | 2012-11-30 12:57:10 +0100 (Fri, 30 Nov 2012) | 6 lines

Modified the N_state_model.test_populations system test to catch bug #20335.

This simply adds calls to the rdc.delete and pcs.delete user functions, and then reloads the RDC and
PCS data.
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r18048 | bugman | 2012-11-30 13:00:20 +0100 (Fri, 30 Nov 2012) | 5 lines

Fix for bug #20335 (https://gna.org/bugs/?20335).

The global alignment ID data structure now has the RDC or PCS ID string correctly removed.
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(Browse SVN revision 18050)

Fix for bug #20335 (https://gna.org/bugs/?20335).

The global alignment ID data structure now has the RDC or PCS ID string correctly removed.

(Browse SVN revision 18048)

These user functions are not tested in the test suite, so have suffered bit-rot! Attempting to execute these user functions produces an error such as:

relax> rdc.delete(align_id=None)
Traceback (most recent call last):
File "/data/edau/relax/relax-trunk/multi/processor.py", line 479, in run
self.callback.init_master(self)
File "/data/edau/relax/relax-trunk/multi/__init__.py", line 318, in default_init_master
self.master.run()
File "/data/edau/relax/relax-trunk/relax.py", line 184, in run
self.interpreter.run(self.script_file)
File "/data/edau/relax/relax-trunk/prompt/interpreter.py", line 278, in run
return run_script(intro=self.__intro_string, local=locals(), script_file=script_file, quit=self.__quit_flag, show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
File "/data/edau/relax/relax-trunk/prompt/interpreter.py", line 585, in run_script
return console.interact(intro, local, script_file, quit, show_script=show_script, raise_relax_error=raise_relax_error)
File "/data/edau/relax/relax-trunk/prompt/interpreter.py", line 468, in interact_script
exec_script(script_file, local)
File "/data/edau/relax/relax-trunk/prompt/interpreter.py", line 341, in exec_script
runpy.run_module(module, globals)
File "/usr/lib64/python2.6/runpy.py", line 140, in run_module
fname, loader, pkg_name)
File "/usr/lib64/python2.6/runpy.py", line 34, in _run_code
exec code in run_globals
File "/data/edau/long_range_rdcs/cross_predict/predict_long_range.py", line 62, in <module>
rdc.delete()
File "/data/edau/relax/relax-trunk/prompt/uf_objects.py", line 219, in _call_
self._backend(new_args, *uf_kargs)
File "/data/edau/relax/relax-trunk/generic_fns/rdc.py", line 374, in delete
cdp.align_ids.pop(id)
TypeError: an integer is required