r9785 - in /branches/bmrb/bmrblib/kinetics: heteronucl_NOEs.py heteronucl_NOEs_v3_2.py -- October 26, 2009 - 17:23

Author: bugman
Date: Mon Oct 26 17:23:24 2009
New Revision: 9785

URL: http://svn.gna.org/viewcvs/relax?rev=9785&view=rev
Log:
Made the temp calibration v3.2 specific for the heteronuclear NOE saveframe.


Modified:
    branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py
    branches/bmrb/bmrblib/kinetics/heteronucl_NOEs_v3_2.py

Modified: branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py?rev=9785&r1=9784&r2=9785&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py Mon Oct 26 17:23:24 2009
@@ -142,8 +142,6 @@
         self.sf.frame.tagtables.append(TagTable(free=True, 
tagnames=[self.tag_names_full['SampleConditionListLabel']], 
tagvalues=[['$conditions_1']]))
 
         # NMR info.
-        self.sf.frame.tagtables.append(TagTable(free=True, 
tagnames=[self.tag_names_full['TempCalibrationMethod']], 
tagvalues=[[self.sf.temp_calibration]]))
-        self.sf.frame.tagtables.append(TagTable(free=True, 
tagnames=[self.tag_names_full['TempControlMethod']], 
tagvalues=[[self.sf.temp_control]]))
         self.sf.frame.tagtables.append(TagTable(free=True, 
tagnames=[self.tag_names_full['SpectrometerFrequency1H']], 
tagvalues=[[str(self.sf.frq/1e6)]]))
 
 
@@ -162,8 +160,6 @@
         # Tag names for the relaxation data.
         self.tag_names['SfCategory'] = 'Saveframe_category'
         self.tag_names['SampleConditionListLabel'] = 
'Sample_conditions_label'
-        self.tag_names['TempCalibrationMethod'] = 'Temp_calibration_method'
-        self.tag_names['TempControlMethod'] = 'Temp_control_method'
         self.tag_names['SpectrometerFrequency1H'] = 
'Spectrometer_frequency_1H'
 
 

Modified: branches/bmrb/bmrblib/kinetics/heteronucl_NOEs_v3_2.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/heteronucl_NOEs_v3_2.py?rev=9785&r1=9784&r2=9785&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_NOEs_v3_2.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_NOEs_v3_2.py Mon Oct 26 
17:23:24 2009
@@ -29,6 +29,7 @@
 # relax module imports.
 from bmrblib.misc import translate
 from bmrblib.kinetics.heteronucl_NOEs_v3_1 import 
HeteronuclNOESaveframe_v3_1, HeteronuclNOEList_v3_1, 
HeteronuclNOEExperiment_v3_1, HeteronuclNOESoftware_v3_1, HeteronuclNOE_v3_1
+from bmrblib.pystarlib.TagTable import TagTable
 
 
 class HeteronuclNOESaveframe_v3_2(HeteronuclNOESaveframe_v3_1):
@@ -75,7 +76,50 @@
         """Create the v3.2 tag categories."""
 
         # The tag category objects.
-        self.heteronuclRxlist = HeteronuclNOEList_v3_1(self)
+        self.heteronuclRxlist = HeteronuclNOEList_v3_2(self)
         self.heteronuclRxexperiment = HeteronuclNOEExperiment_v3_1(self)
         self.heteronuclRxsoftware = HeteronuclNOESoftware_v3_1(self)
         self.Rx = HeteronuclNOE_v3_1(self)
+
+
+
+class HeteronuclNOEList_v3_2(HeteronuclNOEList_v3_1):
+    """v3.1 HeteronuclNOEList tag category."""
+
+    def create(self):
+        """Create the HeteronuclNOEList tag category."""
+
+        # The save frame category.
+        self.sf.frame.tagtables.append(self.create_tag_table([['SfCategory', 
'cat_name']], free=True))
+
+        # NOE ID number.
+        if 'HeteronuclNOEListID' in self.tag_names:
+            self.sf.frame.tagtables.append(TagTable(free=True, 
tagnames=[self.tag_names_full['HeteronuclNOEListID']], 
tagvalues=[[str(self.sf.noe_inc)]]))
+
+        # Sample info.
+        self.sf.frame.tagtables.append(TagTable(free=True, 
tagnames=[self.tag_names_full['SampleConditionListLabel']], 
tagvalues=[['$conditions_1']]))
+
+        # NMR info.
+        self.sf.frame.tagtables.append(TagTable(free=True, 
tagnames=[self.tag_names_full['TempCalibrationMethod']], 
tagvalues=[[self.sf.temp_calibration]]))
+        self.sf.frame.tagtables.append(TagTable(free=True, 
tagnames=[self.tag_names_full['TempControlMethod']], 
tagvalues=[[self.sf.temp_control]]))
+        self.sf.frame.tagtables.append(TagTable(free=True, 
tagnames=[self.tag_names_full['SpectrometerFrequency1H']], 
tagvalues=[[str(self.sf.frq/1e6)]]))
+
+
+    def tag_setup(self, tag_category_label=None, sep=None):
+        """Set up the tag names.
+
+        @keyword tag_category_label:    The tag name prefix specific for the 
tag category.
+        @type tag_category_label:       None or str
+        @keyword sep:                   The string separating the tag name 
prefix and suffix.
+        @type sep:                      str
+        """
+
+        # Execute the base class tag_setup() method.
+        HeteronuclNOEList_v3_1.tag_setup(self, 
tag_category_label='Heteronucl_NOE_list', sep=sep)
+
+        # Tag names for the relaxation data.
+        self.tag_names['TempCalibrationMethod'] = 'Temp_calibration_method'
+        self.tag_names['TempControlMethod'] = 'Temp_control_method'
+
+
+