mailr8949 - /branches/bmrb/bmrblib/kinetics/


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Posted by edward on March 10, 2009 - 11:44:
Author: bugman
Date: Tue Mar 10 11:44:56 2009
New Revision: 8949

URL: http://svn.gna.org/viewcvs/relax?rev=8949&view=rev
Log:
Added the HeteronuclRxListID tag elements.  This just corresponds to the 
self.rx_inc values.


Modified:
    branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py
    branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py
    branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py
    branches/bmrb/bmrblib/kinetics/relax_base.py

Modified: branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py?rev=8949&r1=8948&r2=8949&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py Tue Mar 10 11:44:56 2009
@@ -82,6 +82,9 @@
         no_missing(res_names, 'residue names of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
         no_missing(atom_names, 'atom names of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
 
+        # The number of elements.
+        self.N = len(res_nums)
+
         # Place the args into the namespace.
         self.frq = frq
         self.res_nums = translate(res_nums)
@@ -93,6 +96,7 @@
 
         # Set up the NOE specific variables.
         self.noe_inc = self.noe_inc + 1
+        self.rx_inc_list = translate([self.noe_inc] * self.N)
 
         # Initialise the save frame.
         self.frame = 
SaveFrame(title='heteronuclear_'+self.label+'_list_'+`self.noe_inc`)

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=8949&r1=8948&r2=8949&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py Tue Mar 10 
11:44:56 2009
@@ -82,6 +82,9 @@
         no_missing(res_names, 'residue names of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
         no_missing(atom_names, 'atom names of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
 
+        # The number of elements.
+        self.N = len(res_nums)
+
         # Place the args into the namespace.
         self.frq = frq
         self.res_nums = translate(res_nums)
@@ -93,6 +96,7 @@
 
         # Set up the R1 specific variables.
         self.r1_inc = self.r1_inc + 1
+        self.rx_inc_list = translate([self.r1_inc] * self.N)
 
         # Initialise the save frame.
         self.frame = 
SaveFrame(title='heteronuclear_'+self.label+'_list_'+`self.r1_inc`)

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=8949&r1=8948&r2=8949&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py Tue Mar 10 
11:44:56 2009
@@ -82,6 +82,9 @@
         no_missing(res_names, 'residue names of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
         no_missing(atom_names, 'atom names of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
 
+        # The number of elements.
+        self.N = len(res_nums)
+
         # Place the args into the namespace.
         self.frq = frq
         self.res_nums = translate(res_nums)
@@ -93,6 +96,7 @@
 
         # Set up the R2 specific variables.
         self.r2_inc = self.r2_inc + 1
+        self.rx_inc_list = translate([self.r2_inc] * self.N)
 
         # Initialise the save frame.
         self.frame = 
SaveFrame(title='heteronuclear_'+self.label+'_list_'+`self.r2_inc`)

Modified: branches/bmrb/bmrblib/kinetics/relax_base.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/relax_base.py?rev=8949&r1=8948&r2=8949&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/relax_base.py (original)
+++ branches/bmrb/bmrblib/kinetics/relax_base.py Tue Mar 10 11:44:56 2009
@@ -98,7 +98,8 @@
             ['AtomID',              'atom_names'],
             ['AtomIsotopeNumber',   'isotope'],
             ['Val',                 'data'],
-            ['ValErr',              'errors']
+            ['ValErr',              'errors'],
+            ['HeteronuclRxListID',  'rx_inc_list']
         ]
 
         # Get the TabTable.
@@ -154,3 +155,4 @@
         self.tag_names['AtomIsotopeNumber'] = 'Atom_isotope_number'
         self.tag_names['Val'] = self.sf.label+'_value'
         self.tag_names['ValErr'] = self.sf.label+'_value_error'
+        self.tag_names['HeteronuclRxListID'] = 
'Heteronucl_'+self.sf.label+'_list_ID'




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