Author: bugman
Date: Tue Mar 10 14:45:09 2009
New Revision: 8953
URL: http://svn.gna.org/viewcvs/relax?rev=8953&view=rev
Log:
Added the ID TagTable for the heteronuclear data (just a basic data counter).
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/tag_category.py
Modified: branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py?rev=8953&r1=8952&r2=8953&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py Tue Mar 10 14:45:09 2009
@@ -99,7 +99,7 @@
self.rx_inc_list = translate([self.noe_inc] * self.N)
# Set up the version specific variables.
- self.specific_setup()
+ self.specific_setup(N=self.N)
# Initialise the save frame.
self.frame =
SaveFrame(title='heteronuclear_'+self.label+'_list_'+`self.noe_inc`)
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=8953&r1=8952&r2=8953&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_NOEs_v3_1.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_NOEs_v3_1.py Tue Mar 10
14:45:09 2009
@@ -27,6 +27,7 @@
"""
# relax module imports.
+from bmrblib.misc import translate
from bmrblib.kinetics.heteronucl_NOEs import HeteronuclNOESaveframe,
HeteronuclNOEList, HeteronuclNOEExperiment, HeteronuclNOESoftware,
HeteronuclNOE
@@ -43,10 +44,19 @@
self.Rx = HeteronuclNOE_v3_1(self)
- def specific_setup(self):
- """Method called by self.add() to set up any version specific
data."""
+ def specific_setup(self, N=0):
+ """Method called by self.add() to set up any version specific data.
+ @keyword N: The number of data points, if relevant.
+ @type N: None or int
+ """
+
+ # The category name.
self.cat_name = ['heteronucl_NOEs']
+
+ # The data ID values.
+ if N != None:
+ self.id = translate(range(1,N+1))
class HeteronuclNOEList_v3_1(HeteronuclNOEList):
@@ -86,6 +96,7 @@
HeteronuclNOE.tag_setup(self, tag_category_label='Heteronucl_NOE',
sep=sep)
# Tag names for the relaxation data.
+ self.tag_names['RxID'] = 'ID'
self.tag_names['CompIndexID'] = 'Comp_index_ID'
self.tag_names['CompID'] = 'Comp_ID'
self.tag_names['AtomID'] = 'Atom_ID'
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=8953&r1=8952&r2=8953&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py Tue Mar 10
14:45:09 2009
@@ -99,7 +99,7 @@
self.rx_inc_list = translate([self.r1_inc] * self.N)
# Set up the version specific variables.
- self.specific_setup()
+ self.specific_setup(N=self.N)
# Initialise the save frame.
self.frame =
SaveFrame(title='heteronuclear_'+self.label+'_list_'+`self.r1_inc`)
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=8953&r1=8952&r2=8953&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 14:45:09 2009
@@ -27,6 +27,7 @@
"""
# relax module imports.
+from bmrblib.misc import translate
from bmrblib.kinetics.heteronucl_T1_relaxation import HeteronuclT1Saveframe,
HeteronuclT1List, HeteronuclT1Experiment, HeteronuclT1Software, T1
@@ -43,10 +44,19 @@
self.Rx = T1_v3_1(self)
- def specific_setup(self):
- """Method called by self.add() to set up any version specific
data."""
+ def specific_setup(self, N=0):
+ """Method called by self.add() to set up any version specific data.
+ @keyword N: The number of data points, if relevant.
+ @type N: None or int
+ """
+
+ # The category name.
self.cat_name = ['heteronucl_T1_relaxation']
+
+ # The data ID values.
+ if N != None:
+ self.id = translate(range(1,N+1))
class HeteronuclT1List_v3_1(HeteronuclT1List):
@@ -86,6 +96,7 @@
T1.tag_setup(self, tag_category_label='T1', sep=sep)
# Tag names for the relaxation data.
+ self.tag_names['RxID'] = 'ID'
self.tag_names['CompIndexID'] = 'Comp_index_ID'
self.tag_names['CompID'] = 'Comp_ID'
self.tag_names['AtomID'] = 'Atom_ID'
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=8953&r1=8952&r2=8953&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py Tue Mar 10
14:45:09 2009
@@ -99,7 +99,7 @@
self.rx_inc_list = translate([self.r2_inc] * self.N)
# Set up the version specific variables.
- self.specific_setup()
+ self.specific_setup(N=self.N)
# Initialise the save frame.
self.frame =
SaveFrame(title='heteronuclear_'+self.label+'_list_'+`self.r2_inc`)
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=8953&r1=8952&r2=8953&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 14:45:09 2009
@@ -27,6 +27,7 @@
"""
# relax module imports.
+from bmrblib.misc import translate
from bmrblib.kinetics.heteronucl_T2_relaxation import HeteronuclT2Saveframe,
HeteronuclT2List, HeteronuclT2Experiment, HeteronuclT2Software, T2
@@ -43,10 +44,19 @@
self.Rx = T2_v3_1(self)
- def specific_setup(self):
- """Method called by self.add() to set up any version specific
data."""
+ def specific_setup(self, N=0):
+ """Method called by self.add() to set up any version specific data.
+ @keyword N: The number of data points, if relevant.
+ @type N: None or int
+ """
+
+ # The category name.
self.cat_name = ['heteronucl_T2_relaxation']
+
+ # The data ID values.
+ if N != None:
+ self.id = translate(range(1,N+1))
class HeteronuclT2List_v3_1(HeteronuclT2List):
@@ -86,6 +96,7 @@
T2.tag_setup(self, tag_category_label='T2', sep=sep)
# Tag names for the relaxation data.
+ self.tag_names['RxID'] = 'ID'
self.tag_names['CompIndexID'] = 'Comp_index_ID'
self.tag_names['CompID'] = 'Comp_ID'
self.tag_names['AtomID'] = 'Atom_ID'
Modified: branches/bmrb/bmrblib/kinetics/relax_base.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/relax_base.py?rev=8953&r1=8952&r2=8953&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/relax_base.py (original)
+++ branches/bmrb/bmrblib/kinetics/relax_base.py Tue Mar 10 14:45:09 2009
@@ -105,6 +105,7 @@
# Keys and objects.
info = [
+ ['RxID', 'id'],
['CompIndexID', 'res_nums'],
['CompID', 'res_names'],
['AtomID', 'atom_names'],
@@ -161,6 +162,7 @@
TagCategory.tag_setup(self, tag_category_label=tag_category_label,
sep=sep)
# Tag names for the relaxation data.
+ self.tag_names['RxID'] = None
self.tag_names['CompIndexID'] = 'Residue_seq_code'
self.tag_names['CompID'] = 'Residue_label'
self.tag_names['AtomID'] = 'Atom_name'
Modified: branches/bmrb/bmrblib/tag_category.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/tag_category.py?rev=8953&r1=8952&r2=8953&view=diff
==============================================================================
--- branches/bmrb/bmrblib/tag_category.py (original)
+++ branches/bmrb/bmrblib/tag_category.py Tue Mar 10 14:45:09 2009
@@ -63,7 +63,8 @@
"""
# The full tag name.
- return self.tag_category_label_full + tag_name
+ if tag_name:
+ return self.tag_category_label_full + tag_name
def create_tag_table(self, info, free=False):
r8953 - in /branches/bmrb/bmrblib: ./ kinetics/