Author: bugman
Date: Tue Sep 25 15:06:25 2012
New Revision: 17559
URL: http://svn.gna.org/viewcvs/relax?rev=17559&view=rev
Log:
The overfit_deselect() printouts are now regularised and match the model-free
printouts.
Modified:
trunk/specific_fns/consistency_tests.py
trunk/specific_fns/jw_mapping.py
trunk/specific_fns/noe/main.py
trunk/specific_fns/relax_fit.py
Modified: trunk/specific_fns/consistency_tests.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_fns/consistency_tests.py?rev=17559&r1=17558&r2=17559&view=diff
==============================================================================
--- trunk/specific_fns/consistency_tests.py (original)
+++ trunk/specific_fns/consistency_tests.py Tue Sep 25 15:06:25 2012
@@ -297,13 +297,14 @@
# Print out.
if verbose:
- print("\n\nOver-fit spin deselection.\n")
+ print("\nOver-fit spin deselection:")
# Test the sequence data exists.
if not exists_mol_res_spin_data():
raise RelaxNoSequenceError
# Loop over spin data.
+ deselect_flag = False
for spin, spin_id in spin_loop(return_id=True):
# Skip deselected spins.
if not spin.select:
@@ -313,6 +314,8 @@
if not hasattr(spin, 'ri_data'):
warn(RelaxDeselectWarning(spin_id, 'missing relaxation
data'))
spin.select = False
+ deselect_flag = True
+ continue
# Require 3 or more data points.
else:
@@ -326,6 +329,12 @@
if data_points < 3:
warn(RelaxDeselectWarning(spin_id, 'insufficient
relaxation data, 3 or more data points are required'))
spin.select = False
+ deselect_flag = True
+ continue
+
+ # Final printout.
+ if verbose and not deselect_flag:
+ print("No spins have been deselected.")
return_data_name_doc = Desc_container("Consistency testing data type
string matching patterns")
Modified: trunk/specific_fns/jw_mapping.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_fns/jw_mapping.py?rev=17559&r1=17558&r2=17559&view=diff
==============================================================================
--- trunk/specific_fns/jw_mapping.py (original)
+++ trunk/specific_fns/jw_mapping.py Tue Sep 25 15:06:25 2012
@@ -281,13 +281,14 @@
# Print out.
if verbose:
- print("\n\nOver-fit spin deselection.\n")
+ print("\nOver-fit spin deselection:")
# Test the sequence data exists.
if not exists_mol_res_spin_data():
raise RelaxNoSequenceError
# Loop over spin data.
+ deselect_flag = False
for spin, spin_id in spin_loop(return_id=True):
# Skip deselected spins.
if not spin.select:
@@ -297,6 +298,8 @@
if not hasattr(spin, 'ri_data'):
warn(RelaxDeselectWarning(spin_id, 'missing relaxation
data'))
spin.select = False
+ deselect_flag = True
+ continue
# Require 3 or more data points.
else:
@@ -310,6 +313,12 @@
if data_points < 3:
warn(RelaxDeselectWarning(spin_id, 'insufficient
relaxation data, 3 or more data points are required'))
spin.select = False
+ deselect_flag = True
+ continue
+
+ # Final printout.
+ if verbose and not deselect_flag:
+ print("No spins have been deselected.")
return_data_name_doc = Desc_container("Reduced spectral density mapping
data type string matching patterns")
Modified: trunk/specific_fns/noe/main.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_fns/noe/main.py?rev=17559&r1=17558&r2=17559&view=diff
==============================================================================
--- trunk/specific_fns/noe/main.py (original)
+++ trunk/specific_fns/noe/main.py Tue Sep 25 15:06:25 2012
@@ -151,13 +151,14 @@
# Print out.
if verbose:
- print("\n\nOver-fit spin deselection.\n")
+ print("\nOver-fit spin deselection:")
# Test the sequence data exists.
if not exists_mol_res_spin_data():
raise RelaxNoSequenceError
# Loop over spin data.
+ deselect_flag = False
for spin, spin_id in spin_loop(return_id=True):
# Skip deselected spins.
if not spin.select:
@@ -167,11 +168,19 @@
if not hasattr(spin, 'intensities') or not len(spin.intensities)
== 2:
warn(RelaxDeselectWarning(spin_id, 'insufficient data'))
spin.select = False
+ deselect_flag = True
+ continue
# Check for sufficient errors.
elif not hasattr(spin, 'intensity_err') or not
len(spin.intensity_err) == 2:
warn(RelaxDeselectWarning(spin_id, 'missing errors'))
spin.select = False
+ deselect_flag = True
+ continue
+
+ # Final printout.
+ if verbose and not deselect_flag:
+ print("No spins have been deselected.")
return_data_name_doc = Desc_container("NOE calculation data type string
matching patterns")
Modified: trunk/specific_fns/relax_fit.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_fns/relax_fit.py?rev=17559&r1=17558&r2=17559&view=diff
==============================================================================
--- trunk/specific_fns/relax_fit.py (original)
+++ trunk/specific_fns/relax_fit.py Tue Sep 25 15:06:25 2012
@@ -814,13 +814,14 @@
# Print out.
if verbose:
- print("\n\nOver-fit spin deselection.\n")
+ print("\nOver-fit spin deselection:")
# Test the sequence data exists.
if not exists_mol_res_spin_data():
raise RelaxNoSequenceError
# Loop over spin data.
+ deselect_flag = False
for spin, spin_id in spin_loop(return_id=True):
# Skip deselected spins.
if not spin.select:
@@ -830,17 +831,23 @@
if not hasattr(spin, 'intensities'):
warn(RelaxDeselectWarning(spin_id, 'missing intensity data'))
spin.select = False
+ deselect_flag = True
continue
# Require 3 or more data points.
elif len(spin.intensities) < 3:
warn(RelaxDeselectWarning(spin_id, 'insufficient data, 3 or
more data points are required'))
spin.select = False
+ deselect_flag = True
continue
# Check that the number of relaxation times is complete.
if len(spin.intensities) != len(cdp.relax_times):
raise RelaxError("The %s peak intensity points of the spin
'%s' does not match the expected number of %s (the IDs %s do not match %s)."
% (len(spin.intensities), spin_id, len(cdp.relax_times),
spin.intensities.keys(), cdp.relax_times.keys()))
+
+ # Final printout.
+ if verbose and not deselect_flag:
+ print("No spins have been deselected.")
def return_data(self, spin):
r17559 - in /trunk/specific_fns: consistency_tests.py jw_mapping.py noe/main.py relax_fit.py