mailr26964 - /trunk/auto_analyses/relax_disp.py


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Posted by tlinnet on December 05, 2014 - 17:38:
Author: tlinnet
Date: Fri Dec  5 17:38:49 2014
New Revision: 26964

URL: http://svn.gna.org/viewcvs/relax?rev=26964&view=rev
Log:
Removing the automatic function for error analysis per field in the 
auto_analysis of relax_disp.

This function is moved into pipe_control/spectrum.py.

Modified:
    trunk/auto_analyses/relax_disp.py

Modified: trunk/auto_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/auto_analyses/relax_disp.py?rev=26964&r1=26963&r2=26964&view=diff
==============================================================================
--- trunk/auto_analyses/relax_disp.py   (original)
+++ trunk/auto_analyses/relax_disp.py   Fri Dec  5 17:38:49 2014
@@ -38,8 +38,9 @@
 from lib.warnings import RelaxWarning
 from pipe_control.mol_res_spin import return_spin, spin_loop
 from pipe_control.pipes import has_pipe
+from pipe_control.spectrum import error_analysis_per_field
 from prompt.interpreter import Interpreter
-from specific_analyses.relax_disp.data import has_exponential_exp_type, 
has_cpmg_exp_type, has_fixed_time_exp_type, has_r1rho_exp_type, 
is_r1_optimised, loop_frq
+from specific_analyses.relax_disp.data import has_exponential_exp_type, 
has_cpmg_exp_type, has_fixed_time_exp_type, has_r1rho_exp_type, 
is_r1_optimised
 from specific_analyses.relax_disp.data import INTERPOLATE_DISP, 
INTERPOLATE_OFFSET, X_AXIS_DISP, X_AXIS_W_EFF, X_AXIS_THETA, Y_AXIS_R2_R1RHO, 
Y_AXIS_R2_EFF
 from specific_analyses.relax_disp.model import nesting_model, nesting_param
 from status import Status; status = Status()
@@ -220,49 +221,6 @@
                     warn(RelaxWarning("This could make the numerical 
analysis with model '%s', 5 to 6 times slower." % (model)))
 
 
-    def error_analysis(self):
-        """Perform an error analysis of the peak intensities for each field 
strength separately."""
-
-        # Printout.
-        section(file=sys.stdout, text="Error analysis", prespace=2)
-
-        # Check if intensity errors have already been calculated by the user.
-        precalc = True
-        for spin in spin_loop(skip_desel=True):
-            # No structure.
-            if not hasattr(spin, 'peak_intensity_err'):
-                precalc = False
-                break
-
-            # Determine if a spectrum ID is missing from the list.
-            for id in cdp.spectrum_ids:
-                if id not in spin.peak_intensity_err:
-                    precalc = False
-                    break
-
-        # Skip.
-        if precalc:
-            print("Skipping the error analysis as it has already been 
performed.")
-            return
-
-        # Loop over the spectrometer frequencies.
-        for frq in loop_frq():
-            # Generate a list of spectrum IDs matching the frequency.
-            ids = []
-            for id in cdp.spectrum_ids:
-                # Check that the spectrometer frequency matches.
-                match_frq = True
-                if frq != None and cdp.spectrometer_frq[id] != frq:
-                    match_frq = False
-
-                # Add the ID.
-                if match_frq:
-                    ids.append(id)
-
-            # Run the error analysis on the subset.
-            self.interpreter.spectrum.error_analysis(subset=ids)
-
-
     def name_pipe(self, prefix):
         """Generate a unique name for the data pipe.
 
@@ -567,7 +525,7 @@
 
         # Peak intensity error analysis.
         if MODEL_R2EFF in self.models:
-            self.error_analysis()
+            error_analysis_per_field()
 
         # R1 parameter fitting.
         if self.r1_fit:




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