r9904 - in /1.3/specific_fns: model_free/main.py model_free/mf_minimise.py relax_fit.py -- November 24, 2009 - 11:52

Author: bugman
Date: Tue Nov 24 11:52:38 2009
New Revision: 9904

URL: http://svn.gna.org/viewcvs/relax?rev=9904&view=rev
Log:
Removed back_calc() from the specific analysis API.


Modified:
    1.3/specific_fns/model_free/main.py
    1.3/specific_fns/model_free/mf_minimise.py
    1.3/specific_fns/relax_fit.py

Modified: 1.3/specific_fns/model_free/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/main.py?rev=9904&r1=9903&r2=9904&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/main.py (original)
+++ 1.3/specific_fns/model_free/main.py Tue Nov 24 11:52:38 2009
@@ -468,6 +468,28 @@
         return scaling_matrix
 
 
+    def _back_calc(self, index=None, ri_label=None, frq_label=None, 
frq=None):
+        """Back-calculation of relaxation data from the model-free parameter 
values.
+
+        @keyword index:     The relaxation data index.
+        @type index:        int
+        @keyword ri_label:  The relaxation data type, i.e. 'R1', 'R2', or 
'NOE'.
+        @type ri_label:     str
+        @keyword frq_label: The field strength label.
+        @type frq_label:    str
+        @keyword frq:       The field strength.
+        @type frq:          float
+        @return:            The back calculated relaxation data value 
corresponding to the index.
+        @rtype:             float
+        """
+
+        # Get the relaxation value from the minimise function.
+        value = self.minimise(min_algor='back_calc', min_options=(index, 
ri_label, frq_label, frq))
+
+        # Return the relaxation value.
+        return value
+
+
     def create_mc_data(self, spin_id):
         """Create the Monte Carlo Ri data.
 
@@ -496,7 +518,7 @@
         # Loop over the relaxation data.
         for j in xrange(len(spin.relax_data)):
             # Back calculate the value.
-            value = self.back_calc(index=global_index, 
ri_label=spin.ri_labels[j], frq_label=spin.frq_labels[spin.remap_table[j]], 
frq=spin.frq[spin.remap_table[j]])
+            value = self._back_calc(index=global_index, 
ri_label=spin.ri_labels[j], frq_label=spin.frq_labels[spin.remap_table[j]], 
frq=spin.frq[spin.remap_table[j]])
 
             # Append the value.
             mc_data.append(value)

Modified: 1.3/specific_fns/model_free/mf_minimise.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/mf_minimise.py?rev=9904&r1=9903&r2=9904&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/mf_minimise.py (original)
+++ 1.3/specific_fns/model_free/mf_minimise.py Tue Nov 24 11:52:38 2009
@@ -44,29 +44,6 @@
 
 class Mf_minimise:
     """Class containing functions specific to model-free optimisation."""
-
-
-    def back_calc(self, index=None, ri_label=None, frq_label=None, frq=None):
-        """Back-calculation of relaxation data from the model-free parameter 
values.
-
-        @keyword index:     The relaxation data index.
-        @type index:        int
-        @keyword ri_label:  The relaxation data type, i.e. 'R1', 'R2', or 
'NOE'.
-        @type ri_label:     str
-        @keyword frq_label: The field strength label.
-        @type frq_label:    str
-        @keyword frq:       The field strength.
-        @type frq:          float
-        @return:            The back calculated relaxation data value 
corresponding to the index.
-        @rtype:             float
-        """
-
-        # Get the relaxation value from the minimise function.
-        value = self.minimise(min_algor='back_calc', min_options=(index, 
ri_label, frq_label, frq))
-
-        # Return the relaxation value.
-        return value
-
 
     def calculate(self, spin_id=None, verbosity=1, sim_index=None):
         """Calculation of the model-free chi-squared value.

Modified: 1.3/specific_fns/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/relax_fit.py?rev=9904&r1=9903&r2=9904&view=diff
==============================================================================
--- 1.3/specific_fns/relax_fit.py (original)
+++ 1.3/specific_fns/relax_fit.py Tue Nov 24 11:52:38 2009
@@ -132,7 +132,7 @@
         return scaling_matrix
 
 
-    def back_calc(self, spin=None, relax_time_index=None):
+    def _back_calc(self, spin=None, relax_time_index=None):
         """Back-calculation of peak intensity for the given relaxation time.
 
         @keyword spin:              The spin container.
@@ -193,7 +193,7 @@
         # Loop over the spectral time points.
         for j in xrange(len(cdp.relax_times)):
             # Back calculate the value.
-            value = self.back_calc(spin=spin, relax_time_index=j)
+            value = self._back_calc(spin=spin, relax_time_index=j)
 
             # Append the value.
             mc_data.append(value)