Author: bugman
Date: Mon May 7 23:53:46 2007
New Revision: 3282
URL: http://svn.gna.org/viewcvs/relax?rev=3282&view=rev
Log:
Fix for bug #8996 (https://gna.org/bugs/?8996).
This bug was reported by Carl Diehl.
The issue was that the data structure 'data.heteronuc' did not exist and is
now called
'pdb_heteronuc'. This issue had been fixed in the 1.3 line but was
incomplete in the 1.2 line (the
printing of values was ok but the errors and simulations were incorrect).
Modified:
1.2/specific_fns/model_free.py
Modified: 1.2/specific_fns/model_free.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/specific_fns/model_free.py?rev=3282&r1=3281&r2=3282&view=diff
==============================================================================
--- 1.2/specific_fns/model_free.py (original)
+++ 1.2/specific_fns/model_free.py Mon May 7 23:53:46 2007
@@ -4977,7 +4977,7 @@
xh_vect = replace(`data.xh_vect.tolist()`, ' ', '')
# Write the line.
- self.write_columnar_line(file=file, num=data.num,
name=data.name, select=data.select, data_set='error', nucleus=nucleus,
model=model, equation=equation, params=params, param_set=self.param_set,
s2=s2, s2f=s2f, s2s=s2s, local_tm=local_tm, te=te, tf=tf, ts=ts, rex=rex,
r=r, csa=csa, diff_type=diff_type, diff_params=diff_params, pdb=pdb,
pdb_model=pdb_model, pdb_heteronuc=data.heteronuc, pdb_proton=data.proton,
xh_vect=xh_vect, ri_labels=ri_labels, remap_table=remap_table,
frq_labels=frq_labels, frq=frq, ri=ri, ri_error=ri_error)
+ self.write_columnar_line(file=file, num=data.num,
name=data.name, select=data.select, data_set='error', nucleus=nucleus,
model=model, equation=equation, params=params, param_set=self.param_set,
s2=s2, s2f=s2f, s2s=s2s, local_tm=local_tm, te=te, tf=tf, ts=ts, rex=rex,
r=r, csa=csa, diff_type=diff_type, diff_params=diff_params, pdb=pdb,
pdb_model=pdb_model, pdb_heteronuc=pdb_heteronuc, pdb_proton=data.proton,
xh_vect=xh_vect, ri_labels=ri_labels, remap_table=remap_table,
frq_labels=frq_labels, frq=frq, ri=ri, ri_error=ri_error)
# Simulation values.
@@ -5161,7 +5161,7 @@
xh_vect = replace(`data.xh_vect.tolist()`, ' ', '')
# Write the line.
- self.write_columnar_line(file=file, num=data.num,
name=data.name, select=data.select, select_sim=select_sim,
data_set='sim_'+`i`, nucleus=nucleus, model=model, equation=equation,
params=params, param_set=self.param_set, s2=s2, s2f=s2f, s2s=s2s,
local_tm=local_tm, te=te, tf=tf, ts=ts, rex=rex, r=r, csa=csa, chi2=chi2,
i=iter, f=f, g=g, h=h, warn=warn, diff_type=diff_type,
diff_params=diff_params, pdb=pdb, pdb_model=pdb_model,
pdb_heteronuc=data.heteronuc, pdb_proton=data.proton, xh_vect=xh_vect,
ri_labels=ri_labels, remap_table=remap_table, frq_labels=frq_labels, frq=frq,
ri=ri, ri_error=ri_error)
+ self.write_columnar_line(file=file, num=data.num,
name=data.name, select=data.select, select_sim=select_sim,
data_set='sim_'+`i`, nucleus=nucleus, model=model, equation=equation,
params=params, param_set=self.param_set, s2=s2, s2f=s2f, s2s=s2s,
local_tm=local_tm, te=te, tf=tf, ts=ts, rex=rex, r=r, csa=csa, chi2=chi2,
i=iter, f=f, g=g, h=h, warn=warn, diff_type=diff_type,
diff_params=diff_params, pdb=pdb, pdb_model=pdb_model,
pdb_heteronuc=pdb_heteronuc, pdb_proton=data.proton, xh_vect=xh_vect,
ri_labels=ri_labels, remap_table=remap_table, frq_labels=frq_labels, frq=frq,
ri=ri, ri_error=ri_error)
r3282 - /1.2/specific_fns/model_free.py