Author: bugman Date: Wed Oct 14 18:22:54 2009 New Revision: 9775 URL: http://svn.gna.org/viewcvs/relax?rev=9775&view=rev Log: Added the, as of yet unused, SampleConditionListID tag to the General_relaxation saveframe. Modified: branches/bmrb/bmrblib/kinetics/general_relaxation.py Modified: branches/bmrb/bmrblib/kinetics/general_relaxation.py URL: http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/general_relaxation.py?rev=9775&r1=9774&r2=9775&view=diff ============================================================================== --- branches/bmrb/bmrblib/kinetics/general_relaxation.py (original) +++ branches/bmrb/bmrblib/kinetics/general_relaxation.py Wed Oct 14 18:22:54 2009 @@ -57,7 +57,7 @@ self.add_tag_categories() - def add(self, data_type=None, frq=None, res_nums=None, res_names=None, atom_names=None, isotope=None, data=None, errors=None, temp_calibration=None, temp_control=None): + def add(self, data_type=None, frq=None, res_nums=None, res_names=None, atom_names=None, isotope=None, data=None, errors=None, sample_cond_list_id=None, sample_cond_list_label='$conditions_1', temp_calibration=None, temp_control=None): """Add relaxation data to the data nodes. @keyword data_type: The relaxation data type (one of 'R1' or 'R2'). @@ -104,6 +104,8 @@ self.isotope = translate(isotope) self.data = translate(data) self.errors = translate(errors) + self.sample_cond_list_id = translate(sample_cond_list_id) + self.sample_cond_list_label = translate(sample_cond_list_label) self.temp_calibration = translate(temp_calibration) self.temp_control = translate(temp_control) @@ -202,7 +204,8 @@ self.sf.frame.tagtables.append(TagTable(free=True, tagnames=[self.tag_names_full['GeneralRelaxationListID']], tagvalues=[[str(self.sf.rx_inc)]])) # Sample info. - self.sf.frame.tagtables.append(TagTable(free=True, tagnames=[self.tag_names_full['SampleConditionListLabel']], tagvalues=[['$conditions_1']])) + self.sf.frame.tagtables.append(TagTable(free=True, tagnames=[self.tag_names_full['SampleConditionListID']], tagvalues=[[self.sf.sample_cond_list_id]])) + self.sf.frame.tagtables.append(TagTable(free=True, tagnames=[self.tag_names_full['SampleConditionListLabel']], tagvalues=[[self.sf.sample_cond_list_label]])) # NMR info. self.sf.frame.tagtables.append(TagTable(free=True, tagnames=[self.tag_names_full['TempCalibrationMethod']], tagvalues=[[self.sf.temp_calibration]])) @@ -254,6 +257,7 @@ self.tag_names['GeneralRelaxationListID'] = 'ID' self.tag_names['TempCalibrationMethod'] = 'Temp_calibration_method' self.tag_names['TempControlMethod'] = 'Temp_control_method' + self.tag_names['SampleConditionListID'] = 'Sample_condition_list_ID' self.tag_names['SampleConditionListLabel'] = 'Sample_condition_list_label' self.tag_names['SpectrometerFrequency1H'] = 'Spectrometer_frequency_1H' self.tag_names['RxCoherenceType'] = 'Rx_coherence_type'