Author: bugman
Date: Sat Jul 5 15:48:21 2008
New Revision: 6745
URL: http://svn.gna.org/viewcvs/relax?rev=6745&view=rev
Log:
Converted the model-free remove_tm() method to the new design.
Modified:
1.3/specific_fns/model_free/main.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=6745&r1=6744&r2=6745&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/main.py (original)
+++ 1.3/specific_fns/model_free/main.py Sat Jul 5 15:48:21 2008
@@ -1742,67 +1742,61 @@
spin.select = False
- def remove_tm(self, run, res_num):
- """Function for removing the local tm parameter from the model-free
parameters."""
-
- # Arguments.
- self.run = run
-
- # Test if the run exists.
- if not self.run in ds.run_names:
- raise RelaxNoPipeError, self.run
-
- # Test if the run type is set to 'mf'.
- function_type = ds.run_types[ds.run_names.index(self.run)]
+ def remove_tm(self, spin_id=None):
+ """Remove local tm from the set of model-free parameters for the
given spins.
+
+ @param spin_id: The spin identification string.
+ @type spin_id: str or None
+ """
+
+ # Test if the current data pipe exists.
+ if not ds.current_pipe:
+ raise RelaxNoPipeError
+
+ # Test if the pipe type is 'mf'.
+ function_type = ds[ds.current_pipe].pipe_type
if function_type != 'mf':
- raise RelaxFuncSetupError,
self.relax.specific_setup.get_string(function_type)
+ raise RelaxFuncSetupError, specific_fns.get_string(function_type)
# Test if sequence data is loaded.
- if not ds.res.has_key(self.run):
- raise RelaxNoSequenceError, self.run
-
- # Loop over the sequence.
- for i in xrange(len(ds.res[self.run])):
- # Remap the data structure.
- data = ds.res[self.run][i]
-
- # Skip deselected residues.
- if not data.select:
+ if not exists_mol_res_spin_data():
+ raise RelaxNoSequenceError
+
+ # Loop over the spins.
+ for spin in spin_loop(spin_id):
+ # Skip deselected spins.
+ if not spin.select:
continue
- # If res_num is set, then skip all other residues.
- if res_num != None and res_num != data.num:
+ # Test if a local tm parameter exists.
+ if not hasattr(spin, 'params') or not 'local_tm' in spin.params:
continue
- # Test if a local tm parameter exists.
- if not hasattr(data, 'params') or not 'local_tm' in data.params:
- continue
-
# Remove tm.
- data.params.remove('local_tm')
+ spin.params.remove('local_tm')
# Model name.
- if match('^tm', data.model):
- data.model = data.model[1:]
-
- # Set the local tm value to None.
- data.local_tm = None
-
- # Set all the minimisation details to None.
- data.chi2 = None
- data.iter = None
- data.f_count = None
- data.g_count = None
- data.h_count = None
- data.warning = None
-
- # Set the global minimisation details to None.
- ds.chi2[self.run] = None
- ds.iter[self.run] = None
- ds.f_count[self.run] = None
- ds.g_count[self.run] = None
- ds.h_count[self.run] = None
- ds.warning[self.run] = None
+ if match('^tm', spin.model):
+ spin.model = spin.model[1:]
+
+ # Delete the local tm variable.
+ del spin.local_tm
+
+ # Set all the minimisation stats to None.
+ spin.chi2 = None
+ spin.iter = None
+ spin.f_count = None
+ spin.g_count = None
+ spin.h_count = None
+ spin.warning = None
+
+ # Set the global minimisation stats to None.
+ ds[ds.current_pipe].chi2 = None
+ ds[ds.current_pipe].iter = None
+ ds[ds.current_pipe].f_count = None
+ ds[ds.current_pipe].g_count = None
+ ds[ds.current_pipe].h_count = None
+ ds[ds.current_pipe].warning = None
def return_conversion_factor(self, param, spin=None, spin_id=None):
r6745 - /1.3/specific_fns/model_free/main.py