Author: bugman
Date: Wed May 28 22:12:21 2008
New Revision: 6280
URL: http://svn.gna.org/viewcvs/relax?rev=6280&view=rev
Log:
Modified and renamed read_columnar_col_numbers() to __read_col_numbers().
Modified:
1.3/specific_fns/model_free/results.py
Modified: 1.3/specific_fns/model_free/results.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/results.py?rev=6280&r1=6279&r2=6280&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/results.py (original)
+++ 1.3/specific_fns/model_free/results.py Wed May 28 22:12:21 2008
@@ -68,113 +68,126 @@
return version
- def read_columnar_col_numbers(self, header):
- """Function for sorting the column numbers from the columnar
formatted results file."""
-
- # Initialise the hash.
- self.col = {}
+ def __read_col_numbers(self, header):
+ """Determine the column indecies from the header line.
+
+ @param header: The header line.
+ @type header: list of str
+ @return: The column indecies.
+ @rtype: dictionary of int
+ """
+
+ # Initialise the dictionary of column indecies.
+ col = {}
# Loop over the columns.
for i in xrange(len(header)):
- # Residue info.
+ # Residue info (for relax 1.2).
if header[i] == 'Num':
- self.col['num'] = i
+ col['num'] = i
elif header[i] == 'Name':
- self.col['name'] = i
+ col['name'] = i
+
+ # Spin information.
+ elif header[i] == 'Spin_id':
+ col['spin_id'] = i
elif header[i] == 'Selected':
- self.col['select'] = i
+ col['select'] = i
elif header[i] == 'Data_set':
- self.col['data_set'] = i
+ col['data_set'] = i
elif header[i] == 'Nucleus':
- self.col['nucleus'] = i
+ col['nucleus'] = i
elif header[i] == 'Model':
- self.col['model'] = i
+ col['model'] = i
elif header[i] == 'Equation':
- self.col['eqi'] = i
+ col['eqi'] = i
elif header[i] == 'Params':
- self.col['params'] = i
+ col['params'] = i
elif header[i] == 'Param_set':
- self.col['param_set'] = i
+ col['param_set'] = i
# Parameters.
elif header[i] == 'S2':
- self.col['s2'] = i
+ col['s2'] = i
elif header[i] == 'S2f':
- self.col['s2f'] = i
+ col['s2f'] = i
elif header[i] == 'S2s':
- self.col['s2s'] = i
+ col['s2s'] = i
elif search('^Local_tm', header[i]):
- self.col['local_tm'] = i
+ col['local_tm'] = i
elif search('^te', header[i]):
- self.col['te'] = i
+ col['te'] = i
elif search('^tf', header[i]):
- self.col['tf'] = i
+ col['tf'] = i
elif search('^ts', header[i]):
- self.col['ts'] = i
+ col['ts'] = i
elif search('^Rex', header[i]):
- self.col['rex'] = i
+ col['rex'] = i
elif search('^Bond_length', header[i]):
- self.col['r'] = i
+ col['r'] = i
elif search('^CSA', header[i]):
- self.col['csa'] = i
+ col['csa'] = i
# Minimisation info.
elif header[i] == 'Chi-squared':
- self.col['chi2'] = i
+ col['chi2'] = i
elif header[i] == 'Iter':
- self.col['iter'] = i
+ col['iter'] = i
elif header[i] == 'f_count':
- self.col['f_count'] = i
+ col['f_count'] = i
elif header[i] == 'g_count':
- self.col['g_count'] = i
+ col['g_count'] = i
elif header[i] == 'h_count':
- self.col['h_count'] = i
+ col['h_count'] = i
elif header[i] == 'Warning':
- self.col['warn'] = i
-
- # Diffusion tensor.
+ col['warn'] = i
+
+ # Diffusion tensor (for relax 1.2).
elif header[i] == 'Diff_type':
- self.col['diff_type'] = i
+ col['diff_type'] = i
elif header[i] == 'tm_(s)':
- self.col['tm'] = i
+ col['tm'] = i
elif header[i] == 'Da_(1/s)':
- self.col['da'] = i
+ col['da'] = i
elif header[i] == 'theta_(deg)':
- self.col['theta'] = i
+ col['theta'] = i
elif header[i] == 'phi_(deg)':
- self.col['phi'] = i
+ col['phi'] = i
elif header[i] == 'Da_(1/s)':
- self.col['da'] = i
+ col['da'] = i
elif header[i] == 'Dr_(1/s)':
- self.col['dr'] = i
+ col['dr'] = i
elif header[i] == 'alpha_(deg)':
- self.col['alpha'] = i
+ col['alpha'] = i
elif header[i] == 'beta_(deg)':
- self.col['beta'] = i
+ col['beta'] = i
elif header[i] == 'gamma_(deg)':
- self.col['gamma'] = i
-
- # PDB and XH vector.
+ col['gamma'] = i
+
+ # PDB and XH vector (for relax 1.2).
elif header[i] == 'PDB':
- self.col['pdb'] = i
+ col['pdb'] = i
elif header[i] == 'PDB_model':
- self.col['pdb_model'] = i
+ col['pdb_model'] = i
elif header[i] == 'PDB_heteronuc':
- self.col['pdb_heteronuc'] = i
+ col['pdb_heteronuc'] = i
elif header[i] == 'PDB_proton':
- self.col['pdb_proton'] = i
+ col['pdb_proton'] = i
elif header[i] == 'XH_vector':
- self.col['xh_vect'] = i
-
- # Relaxation data.
+ col['xh_vect'] = i
+
+ # Relaxation data (for relax 1.2).
elif header[i] == 'Ri_labels':
- self.col['ri_labels'] = i
+ col['ri_labels'] = i
elif header[i] == 'Remap_table':
- self.col['remap_table'] = i
+ col['remap_table'] = i
elif header[i] == 'Frq_labels':
- self.col['frq_labels'] = i
+ col['frq_labels'] = i
elif header[i] == 'Frequencies':
- self.col['frq'] = i
+ col['frq'] = i
+
+ # Return the column indecies.
+ return col
def read_columnar_diff_tensor(self):
@@ -774,7 +787,7 @@
file_data = file_data[1:]
# Sort the column numbers.
- self.read_columnar_col_numbers(header)
+ self.__read_col_numbers(header)
# Test the file.
if len(self.col) < 2:
r6280 - /1.3/specific_fns/model_free/results.py