r9866 - /branches/bmrb/generic_fns/relax_data.py -- November 04, 2009 - 15:18

Author: bugman
Date: Wed Nov  4 15:18:15 2009
New Revision: 9866

URL: http://svn.gna.org/viewcvs/relax?rev=9866&view=rev
Log:
The peak intensity type is now being passed into the BMRB file.

This doesn't work yet as the user function doesn't exist!


Modified:
    branches/bmrb/generic_fns/relax_data.py

Modified: branches/bmrb/generic_fns/relax_data.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/relax_data.py?rev=9866&r1=9865&r2=9866&view=diff
==============================================================================
--- branches/bmrb/generic_fns/relax_data.py (original)
+++ branches/bmrb/generic_fns/relax_data.py Wed Nov  4 15:18:15 2009
@@ -337,6 +337,10 @@
     if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info, 
'temp_control'):
         raise RelaxError("The temperature control methods have not been 
specified.")
 
+    # Check the peak intensity type.
+    if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info, 
'peak_intensity_type'):
+        raise RelaxError("The peak intensity types measured for the 
relaxation data have not been specified.")
+
     # Loop over the relaxation data.
     for i in range(cdp.num_ri):
         # Alias.
@@ -347,6 +351,9 @@
         temp_calib = cdp.exp_info.get_temp_calibration(ri_label, frq_label)
         temp_control = cdp.exp_info.get_temp_control(ri_label, frq_label)
 
+        # Get the peak intensity type.
+        peak_intensity_type = cdp.exp_info.get_peak_intensity_type(ri_label, 
frq_label)
+
         # Check.
         if not temp_calib:
             raise RelaxError("The temperature calibration method for the 
'%s' ri_label and '%s' frq_label have not been specified." % (ri_label, 
frq_label))
@@ -354,7 +361,7 @@
             raise RelaxError("The temperature control method for the '%s' 
ri_label and '%s' frq_label have not been specified." % (ri_label, frq_label))
 
         # Add the relaxation data.
-        star.relaxation.add(data_type=ri_label, 
frq=cdp.frq[cdp.remap_table[i]], entity_ids=entity_ids, 
res_nums=res_num_list, res_names=res_name_list, atom_names=atom_name_list, 
atom_types=element_list, isotope=isotope_list, entity_ids_2=entity_ids, 
res_nums_2=res_num_list, res_names_2=res_name_list, 
atom_names_2=attached_atom_name_list, atom_types_2=attached_element_list, 
isotope_2=attached_isotope_list, data=relax_data_list[i], 
errors=relax_error_list[i], temp_calibration=temp_calib, 
temp_control=temp_control)
+        star.relaxation.add(data_type=ri_label, 
frq=cdp.frq[cdp.remap_table[i]], entity_ids=entity_ids, 
res_nums=res_num_list, res_names=res_name_list, atom_names=atom_name_list, 
atom_types=element_list, isotope=isotope_list, entity_ids_2=entity_ids, 
res_nums_2=res_num_list, res_names_2=res_name_list, 
atom_names_2=attached_atom_name_list, atom_types_2=attached_element_list, 
isotope_2=attached_isotope_list, data=relax_data_list[i], 
errors=relax_error_list[i], temp_calibration=temp_calib, 
temp_control=temp_control, peak_intensity_type=peak_intensity_type)
 
 
 def copy(pipe_from=None, pipe_to=None, ri_label=None, frq_label=None):