Author: bugman
Date: Tue Mar 10 10:48:14 2009
New Revision: 8945
URL: http://svn.gna.org/viewcvs/relax?rev=8945&view=rev
Log:
Bug fix for the residue numbers.
This is CompIndexID and not SeqID!
Modified:
branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py
branches/bmrb/bmrblib/kinetics/heteronucl_NOEs_v3_1.py
branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py
branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation_v3_1.py
branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py
branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation_v3_1.py
branches/bmrb/bmrblib/kinetics/relax_base.py
branches/bmrb/bmrblib/thermodynamics/order_parameters.py
branches/bmrb/bmrblib/thermodynamics/order_parameters_v3_1.py
Modified: branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py?rev=8945&r1=8944&r2=8945&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py Tue Mar 10 10:48:14 2009
@@ -194,7 +194,7 @@
# The relaxation tag names.
tag_names = []
missing = []
- for key in ['SeqID', 'CompID', 'AtomID', 'Val', 'ValErr']:
+ for key in ['CompIndexID', 'CompID', 'AtomID', 'Val', 'ValErr']:
if not self.tag_names.has_key(key):
missing.append(key)
else:
@@ -202,7 +202,7 @@
# The tag values.
tag_values = []
- if 'SeqID' not in missing:
+ if 'CompIndexID' not in missing:
tag_values.append(self.sf.res_nums)
if 'CompID' not in missing:
tag_values.append(self.sf.res_names)
@@ -233,7 +233,7 @@
TagCategory.tag_setup(self, tag_category_label=tag_category_label,
sep=sep)
# Tag names for the relaxation data.
- self.tag_names['SeqID'] = 'Residue_seq_code'
+ self.tag_names['CompIndexID'] = 'Residue_seq_code'
self.tag_names['CompID'] = 'Residue_label'
self.tag_names['AtomID'] = 'Atom_name'
self.tag_names['Val'] = self.sf.label+'_value'
Modified: branches/bmrb/bmrblib/kinetics/heteronucl_NOEs_v3_1.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/heteronucl_NOEs_v3_1.py?rev=8945&r1=8944&r2=8945&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_NOEs_v3_1.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_NOEs_v3_1.py Tue Mar 10
10:48:14 2009
@@ -80,7 +80,7 @@
HeteronuclNOE.tag_setup(self, tag_category_label='Heteronucl_NOE',
sep=sep)
# Tag names for the relaxation data.
- self.tag_names['SeqID'] = 'Seq_ID'
+ self.tag_names['CompIndexID'] = 'Comp_index_ID'
self.tag_names['CompID'] = 'Comp_ID'
self.tag_names['AtomID'] = 'Atom_ID'
self.tag_names['Val'] = 'Val'
Modified: branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py?rev=8945&r1=8944&r2=8945&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py Tue Mar 10
10:48:14 2009
@@ -203,7 +203,7 @@
# The relaxation tag names.
tag_names = []
missing = []
- for key in ['SeqID', 'CompID', 'AtomID', 'Val', 'ValErr']:
+ for key in ['CompIndexID', 'CompID', 'AtomID', 'Val', 'ValErr']:
if not self.tag_names.has_key(key):
missing.append(key)
else:
@@ -211,7 +211,7 @@
# The tag values.
tag_values = []
- if 'SeqID' not in missing:
+ if 'CompIndexID' not in missing:
tag_values.append(self.sf.res_nums)
if 'CompID' not in missing:
tag_values.append(self.sf.res_names)
@@ -242,7 +242,7 @@
TagCategory.tag_setup(self, tag_category_label=tag_category_label,
sep=sep)
# Tag names for the relaxation data.
- self.tag_names['SeqID'] = 'Residue_seq_code'
+ self.tag_names['CompIndexID'] = 'Residue_seq_code'
self.tag_names['CompID'] = 'Residue_label'
self.tag_names['AtomID'] = 'Atom_name'
self.tag_names['Val'] = self.sf.label+'_value'
Modified: branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation_v3_1.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation_v3_1.py?rev=8945&r1=8944&r2=8945&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation_v3_1.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation_v3_1.py Tue Mar
10 10:48:14 2009
@@ -80,7 +80,7 @@
T1.tag_setup(self, tag_category_label='T1', sep=sep)
# Tag names for the relaxation data.
- self.tag_names['SeqID'] = 'Seq_ID'
+ self.tag_names['CompIndexID'] = 'Comp_index_ID'
self.tag_names['CompID'] = 'Comp_ID'
self.tag_names['AtomID'] = 'Atom_ID'
self.tag_names['Val'] = 'Val'
Modified: branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py?rev=8945&r1=8944&r2=8945&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py Tue Mar 10
10:48:14 2009
@@ -203,7 +203,7 @@
# The relaxation tag names.
tag_names = []
missing = []
- for key in ['SeqID', 'CompID', 'AtomID', 'Val', 'ValErr']:
+ for key in ['CompIndexID', 'CompID', 'AtomID', 'Val', 'ValErr']:
if not self.tag_names.has_key(key):
missing.append(key)
else:
@@ -211,7 +211,7 @@
# The tag values.
tag_values = []
- if 'SeqID' not in missing:
+ if 'CompIndexID' not in missing:
tag_values.append(self.sf.res_nums)
if 'CompID' not in missing:
tag_values.append(self.sf.res_names)
@@ -242,7 +242,7 @@
TagCategory.tag_setup(self, tag_category_label=tag_category_label,
sep=sep)
# Tag names for the relaxation data.
- self.tag_names['SeqID'] = 'Residue_seq_code'
+ self.tag_names['CompIndexID'] = 'Residue_seq_code'
self.tag_names['CompID'] = 'Residue_label'
self.tag_names['AtomID'] = 'Atom_name'
self.tag_names['Val'] = self.sf.label+'_value'
Modified: branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation_v3_1.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation_v3_1.py?rev=8945&r1=8944&r2=8945&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation_v3_1.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation_v3_1.py Tue Mar
10 10:48:14 2009
@@ -80,7 +80,7 @@
T2.tag_setup(self, tag_category_label='T2', sep=sep)
# Tag names for the relaxation data.
- self.tag_names['SeqID'] = 'Seq_ID'
+ self.tag_names['CompIndexID'] = 'Comp_index_ID'
self.tag_names['CompID'] = 'Comp_ID'
self.tag_names['AtomID'] = 'Atom_ID'
self.tag_names['Val'] = 'Val'
Modified: branches/bmrb/bmrblib/kinetics/relax_base.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/relax_base.py?rev=8945&r1=8944&r2=8945&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/relax_base.py (original)
+++ branches/bmrb/bmrblib/kinetics/relax_base.py Tue Mar 10 10:48:14 2009
@@ -99,7 +99,7 @@
"""
# The entity info.
- res_nums =
tagtable.tagvalues[tagtable.tagnames.index(self.tag_names_full['SeqID'])]
+ res_nums =
tagtable.tagvalues[tagtable.tagnames.index(self.tag_names_full['CompIndexID'])]
res_names =
tagtable.tagvalues[tagtable.tagnames.index(self.tag_names_full['CompID'])]
atom_names =
tagtable.tagvalues[tagtable.tagnames.index(self.tag_names_full['AtomID'])]
values =
tagtable.tagvalues[tagtable.tagnames.index(self.tag_names_full['Val'])]
Modified: branches/bmrb/bmrblib/thermodynamics/order_parameters.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/thermodynamics/order_parameters.py?rev=8945&r1=8944&r2=8945&view=diff
==============================================================================
--- branches/bmrb/bmrblib/thermodynamics/order_parameters.py (original)
+++ branches/bmrb/bmrblib/thermodynamics/order_parameters.py Tue Mar 10
10:48:14 2009
@@ -211,7 +211,7 @@
# Keys and objects.
info = [
- ['SeqID', 'res_nums'],
+ ['CompIndexID', 'res_nums'],
['CompID', 'res_names'],
['AtomID', 'atom_names'],
['OrderParamVal', 's2'],
@@ -250,7 +250,7 @@
TagCategory.tag_setup(self, tag_category_label=tag_category_label,
sep=sep)
# Tag names for the relaxation data.
- self.tag_names['SeqID'] = 'Residue_seq_code'
+ self.tag_names['CompIndexID'] = 'Residue_seq_code'
self.tag_names['CompID'] = 'Residue_label'
self.tag_names['AtomID'] = 'Atom_name'
self.tag_names['OrderParamVal'] = 'S2_value'
Modified: branches/bmrb/bmrblib/thermodynamics/order_parameters_v3_1.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/thermodynamics/order_parameters_v3_1.py?rev=8945&r1=8944&r2=8945&view=diff
==============================================================================
--- branches/bmrb/bmrblib/thermodynamics/order_parameters_v3_1.py (original)
+++ branches/bmrb/bmrblib/thermodynamics/order_parameters_v3_1.py Tue Mar 10
10:48:14 2009
@@ -80,7 +80,7 @@
OrderParameter.tag_setup(self, tag_category_label='Order_param',
sep=sep)
# Tag names for the relaxation data.
- self.tag_names['SeqID'] = 'Seq_ID'
+ self.tag_names['CompIndexID'] = 'Comp_index_ID'
self.tag_names['CompID'] = 'Comp_ID'
self.tag_names['AtomID'] = 'Atom_ID'
self.tag_names['OrderParamVal'] = 'Order_param_val'
r8945 - in /branches/bmrb/bmrblib: kinetics/ thermodynamics/