r4106 - /1.3/specific_fns/relax_data.py -- November 28, 2007 - 11:23

Author: bugman
Date: Wed Nov 28 11:23:19 2007
New Revision: 4106

URL: http://svn.gna.org/viewcvs/relax?rev=4106&view=rev
Log:
Converted specific_fns.relax_data.update_data_structures() to the new relax 
design.


Modified:
    1.3/specific_fns/relax_data.py

Modified: 1.3/specific_fns/relax_data.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/relax_data.py?rev=4106&r1=4105&r2=4106&view=diff
==============================================================================
--- 1.3/specific_fns/relax_data.py (original)
+++ 1.3/specific_fns/relax_data.py Wed Nov 28 11:23:19 2007
@@ -690,76 +690,90 @@
         return False
 
 
-    def update_data_structures(self, data=None, value=None, error=None):
-        """Function for updating all relaxation data structures."""
+    def update_data_structures(self, spin=None, ri_label=None, 
frq_label=None, frq=None, value=None, error=None):
+        """Function for updating all relaxation data structures of the given 
spin container.
+
+        @param spin:            The SpinContainer object.
+        @type spin:             class instance
+        @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 frq:             The spectrometer proton frequency in Hz.
+        @type frq:              float
+        @param value:           The relaxation data value.
+        @type value:            float
+        @param error:           The relaxation data error.
+        @type error:            float
+        """
 
         # Initialise the relaxation data structures (if needed).
-        self.data_init(data)
-
-        # Find the index corresponding to 'self.ri_label' and 
'self.frq_label'.
-        index = self.find_index(data)
+        self.data_init(spin)
+
+        # Find the index corresponding to 'ri_label' and 'frq_label'.
+        index = self.find_index(spin)
 
         # Append empty data.
         if index == None:
-            data.relax_data.append(None)
-            data.relax_error.append(None)
-            data.ri_labels.append(None)
-            data.remap_table.append(None)
-            data.noe_r1_table.append(None)
+            spin.relax_data.append(None)
+            spin.relax_error.append(None)
+            spin.ri_labels.append(None)
+            spin.remap_table.append(None)
+            spin.noe_r1_table.append(None)
 
         # Set the index value.
         if index == None:
-            i = len(data.relax_data) - 1
+            i = len(spin.relax_data) - 1
         else:
             i = index
 
         # Relaxation data and errors.
-        data.relax_data[i] = value
-        data.relax_error[i] = error
+        spin.relax_data[i] = value
+        spin.relax_error[i] = error
 
         # Update the number of relaxation data points.
         if index == None:
-            data.num_ri = data.num_ri + 1
+            spin.num_ri = spin.num_ri + 1
 
         # Add ri_label to the data types.
-        data.ri_labels[i] = self.ri_label
-
-        # Find if the frequency self.frq has already been loaded.
-        remap = len(data.frq)
+        spin.ri_labels[i] = ri_label
+
+        # Find if the frequency frq has already been loaded.
+        remap = len(spin.frq)
         flag = 0
-        for j in xrange(len(data.frq)):
-            if self.frq == data.frq[j]:
+        for j in xrange(len(spin.frq)):
+            if frq == spin.frq[j]:
                 remap = j
                 flag = 1
 
         # Update the remap table.
-        data.remap_table[i] = remap
+        spin.remap_table[i] = remap
 
         # Update the data structures which have a length equal to the number 
of field strengths.
         if not flag:
             # Update the number of frequencies.
             if index == None:
-                data.num_frq = data.num_frq + 1
+                spin.num_frq = spin.num_frq + 1
 
             # Update the frequency labels.
-            data.frq_labels.append(self.frq_label)
+            spin.frq_labels.append(frq_label)
 
             # Update the frequency array.
-            data.frq.append(self.frq)
+            spin.frq.append(frq)
 
         # Update the NOE R1 translation table.
         # If the data corresponds to 'NOE', try to find if the corresponding 
R1 data.
-        if self.ri_label == 'NOE':
-            for j in xrange(data.num_ri):
-                if data.ri_labels[j] == 'R1' and self.frq_label == 
data.frq_labels[data.remap_table[j]]:
-                    data.noe_r1_table[data.num_ri - 1] = j
+        if ri_label == 'NOE':
+            for j in xrange(spin.num_ri):
+                if spin.ri_labels[j] == 'R1' and frq_label == 
spin.frq_labels[spin.remap_table[j]]:
+                    spin.noe_r1_table[spin.num_ri - 1] = j
 
         # Update the NOE R1 translation table.
         # If the data corresponds to 'R1', try to find if the corresponding 
NOE data.
-        if self.ri_label == 'R1':
-            for j in xrange(data.num_ri):
-                if data.ri_labels[j] == 'NOE' and self.frq_label == 
data.frq_labels[data.remap_table[j]]:
-                    data.noe_r1_table[j] = data.num_ri - 1
+        if ri_label == 'R1':
+            for j in xrange(spin.num_ri):
+                if spin.ri_labels[j] == 'NOE' and frq_label == 
spin.frq_labels[spin.remap_table[j]]:
+                    spin.noe_r1_table[j] = spin.num_ri - 1
 
 
     def update_global_data_structures(self, ri_label=None, frq_label=None, 
frq=None):