Author: bugman
Date: Sat Feb 19 15:18:05 2011
New Revision: 12587
URL: http://svn.gna.org/viewcvs/relax?rev=12587&view=rev
Log:
Merged revisions 12532-12534,12576 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/bmrb
........
r12532 | bugman | 2011-02-17 10:21:43 +0100 (Thu, 17 Feb 2011) | 3 lines
Fix for the _bmrb_model_map() method - the bad models must come first in
the list!
........
r12533 | bugman | 2011-02-17 10:23:31 +0100 (Thu, 17 Feb 2011) | 3 lines
The error tags from the Order_parameters saveframe are only used if they
exist.
........
r12534 | bugman | 2011-02-17 10:41:36 +0100 (Thu, 17 Feb 2011) | 5 lines
The Modelfree software problem of calling ts te is now handled correctly.
The te parameter is now converted to ts, and the te parameter and error in
relax are set to None.
........
r12576 | bugman | 2011-02-18 18:29:53 +0100 (Fri, 18 Feb 2011) | 3 lines
Fix for the PDC system tests - the generic_fns.relax_data.pack_data() args
are different in the branch.
........
Modified:
1.3/ (props changed)
1.3/generic_fns/pdc.py
1.3/specific_fns/model_free/bmrb.py
Propchange: 1.3/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Sat Feb 19 15:18:05 2011
@@ -1,1 +1,1 @@
-/branches/bmrb:1-7041,7043-7046,8153-8388,8392-8573,8834-8975,9274-9705,9708-9792,9795-11264,11633-11660,11691-12530
+/branches/bmrb:1-7041,7043-7046,8153-8388,8392-8573,8834-8975,9274-9705,9708-9792,9795-11264,11633-11660,11691-12530,12532-12576
Modified: 1.3/generic_fns/pdc.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/pdc.py?rev=12587&r1=12586&r2=12587&view=diff
==============================================================================
--- 1.3/generic_fns/pdc.py (original)
+++ 1.3/generic_fns/pdc.py Sat Feb 19 15:18:05 2011
@@ -177,4 +177,4 @@
pass
# Pack the data.
- pack_data(ri_label, frq_label, frq, values, errors, ids=res_nums)
+ pack_data(ri_label, frq_label, frq, values, errors, spin_ids=res_nums)
Modified: 1.3/specific_fns/model_free/bmrb.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/bmrb.py?rev=12587&r1=12586&r2=12587&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/bmrb.py (original)
+++ 1.3/specific_fns/model_free/bmrb.py Sat Feb 19 15:18:05 2011
@@ -62,8 +62,8 @@
'm2': 'S2, te',
'm3': 'S2, Rex',
'm4': 'S2, te, Rex',
+ 'm5': 'S2, te, S2f', # This non-standard naming
(incorrect) must go before the correct m5.
'm5': 'S2f, S2, ts',
- 'm5': 'S2, te, S2f',
'm6': 'S2f, tf, S2, ts',
'm7': 'S2f, S2, ts, Rex',
'm8': 'S2f, tf, S2, ts, Rex',
@@ -195,30 +195,41 @@
# Loop over and set the model-free parameters.
for j in range(len(mf_params)):
# No parameter.
- if not mf_bmrb_key[j] in keys or data[mf_bmrb_key[j]] ==
None:
+ if not mf_bmrb_key[j] in keys:
continue
- # The value.
- value = data[mf_bmrb_key[j]][i]
-
- # The parameter.
- param = mf_params[j]
-
- # Change the parameter name of te to ts.
- if param == 'te':
- if (data['s2s'] and data['s2s'][i] != None) or
(data['s2f'] and data['s2f'][i] != None):
- param = 'ts'
-
- # Parameter scaling.
- if value != None:
- if param == 'te':
- value = value * te_scale
- elif param == 'tf':
- value = value * tf_scale
- elif param == 'ts':
- value = value * ts_scale
- elif param == 'rex':
- value = value * rex_scale
+ # The parameter and its value.
+ if data[mf_bmrb_key[j]] != None:
+ # The value.
+ value = data[mf_bmrb_key[j]][i]
+
+ # The parameter.
+ param = mf_params[j]
+
+ # A te value which should be ts!
+ if param == 'te' and not hasattr(spin, 'te'):
+ if (data['s2s'] and data['s2s'][i] != None) or
(data['s2f'] and data['s2f'][i] != None):
+ # Change the parameter name of te to ts.
+ param = 'ts'
+
+ # Set the te and te_err values to None.
+ spin.te = None
+ spin.te_err = None
+
+ # Parameter scaling.
+ if value != None:
+ if param == 'te':
+ value = value * te_scale
+ elif param == 'tf':
+ value = value * tf_scale
+ elif param == 'ts':
+ value = value * ts_scale
+ elif param == 'rex':
+ value = value * rex_scale
+
+ # No parameter value.
+ else:
+ value = None
# Set the parameter.
setattr(spin, param, value)
@@ -226,7 +237,7 @@
# The error.
mf_bmrb_key_err = mf_bmrb_key[j] + '_err'
error = None
- if data[mf_bmrb_key_err] != None:
+ if mf_bmrb_key_err in keys and data[mf_bmrb_key_err] !=
None:
error = data[mf_bmrb_key_err][i]
# Error scaling.
r12587 - in /1.3: ./ generic_fns/pdc.py specific_fns/model_free/bmrb.py