r12665 - in /branches/relax_data: generic_fns/relax_data.py prompt/relax_data.py -- March 01, 2011 - 18:25

Author: bugman
Date: Tue Mar  1 18:25:19 2011
New Revision: 12665

URL: http://svn.gna.org/viewcvs/relax?rev=12665&view=rev
Log:
Converted the relax_data.temp_calibration() user function back and front end 
to the new design.


Modified:
    branches/relax_data/generic_fns/relax_data.py
    branches/relax_data/prompt/relax_data.py

Modified: branches/relax_data/generic_fns/relax_data.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_data/generic_fns/relax_data.py?rev=12665&r1=12664&r2=12665&view=diff
==============================================================================
--- branches/relax_data/generic_fns/relax_data.py (original)
+++ branches/relax_data/generic_fns/relax_data.py Tue Mar  1 18:25:19 2011
@@ -779,14 +779,12 @@
     return spin.ri_data[data_type], spin.ri_data_err[data_type]
 
 
-def temp_calibration(ri_label=None, frq_label=None, method=None):
+def temp_calibration(ri_id=None, method=None):
     """Set the temperature calibration method.
 
-    @param ri_label:    The relaxation data type, ie 'R1', 'R2', or 'NOE'.
-    @type ri_label:     str
-    @param frq_label:   The field strength label.
-    @type frq_label:    str
-    @param method:      The temperature calibration method.
+    @keyword ri_id:     The relaxation data type, ie 'R1', 'R2', or 'NOE'.
+    @type ri_id:        str
+    @keyword method:    The temperature calibration method.
     @type method:       str
     """
 
@@ -797,10 +795,9 @@
     if not exists_mol_res_spin_data():
         raise RelaxNoSequenceError
 
-    # Test if relaxation data corresponding to 'ri_label' and 'frq_label' 
already exists.
-    if not test_labels(ri_label, frq_label):
-        raise RelaxNoRiError(ri_label, frq_label)
-
+    # Test if data exists.
+    if not hasattr(cdp, 'ri_ids') or ri_id not in cdp.ri_ids:
+        raise RelaxNoRiError(ri_id)
 
     # Check the values, and warn if not in the list.
     valid = ['methanol', 'monoethylene glycol', 'no calibration applied']
@@ -812,7 +809,7 @@
         cdp.exp_info = ExpInfo()
 
     # Store the method.
-    cdp.exp_info.temp_calibration_setup(ri_label, frq_label, method)
+    cdp.exp_info.temp_calibration_setup(ri_id, method)
 
 
 

Modified: branches/relax_data/prompt/relax_data.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_data/prompt/relax_data.py?rev=12665&r1=12664&r2=12665&view=diff
==============================================================================
--- branches/relax_data/prompt/relax_data.py (original)
+++ branches/relax_data/prompt/relax_data.py Tue Mar  1 18:25:19 2011
@@ -341,15 +341,13 @@
         relax_data.read(ri_id=ri_id, ri_type=ri_type, frq=frq, file=file, 
dir=dir, spin_id_col=spin_id_col, mol_name_col=mol_name_col, 
res_num_col=res_num_col, res_name_col=res_name_col, 
spin_num_col=spin_num_col, spin_name_col=spin_name_col, data_col=data_col, 
error_col=error_col, sep=sep, spin_id=spin_id)
 
 
-    def temp_calibration(self, ri_label=None, frq_label=None, method=None):
+    def temp_calibration(self, ri_id=None, method=None):
         """Specify the temperature calibration method used.
 
         Keyword Arguments
         ~~~~~~~~~~~~~~~~~
 
-        ri_label:  The relaxation data type, ie 'R1', 'R2', or 'NOE'.
-
-        frq_label:  The field strength label.
+        ri_id:  The relaxation data ID string.
 
         method:  The calibration method.
 
@@ -370,18 +368,16 @@
         # Function intro text.
         if self._exec_info.intro:
             text = self._exec_info.ps3 + "relax_data.temp_calibration("
-            text = text + "ri_label=" + repr(ri_label)
-            text = text + ", frq_label=" + repr(frq_label)
+            text = text + "ri_id=" + repr(ri_id)
             text = text + ", method=" + repr(method) + ")"
             print(text)
 
         # The argument checks.
-        arg_check.is_str(ri_label, 'relaxation label')
-        arg_check.is_str(frq_label, 'frequency label')
+        arg_check.is_str(ri_id, 'relaxation label')
         arg_check.is_str(method, 'temperature calibration method')
 
         # Execute the functional code.
-        relax_data.temp_calibration(ri_label=ri_label, frq_label=frq_label, 
method=method)
+        relax_data.temp_calibration(ri_id=ri_id, method=method)
 
 
     def temp_control(self, ri_label=None, frq_label=None, method=None):