r9238 - in /1.3: generic_fns/pcs.py prompt/pcs.py -- July 15, 2009 - 17:45

Author: bugman
Date: Wed Jul 15 17:45:07 2009
New Revision: 9238

URL: http://svn.gna.org/viewcvs/relax?rev=9238&view=rev
Log:
The pcs.read() user function also now accepts the spin_id argument.


Modified:
    1.3/generic_fns/pcs.py
    1.3/prompt/pcs.py

Modified: 1.3/generic_fns/pcs.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/pcs.py?rev=9238&r1=9237&r2=9238&view=diff
==============================================================================
--- 1.3/generic_fns/pcs.py (original)
+++ 1.3/generic_fns/pcs.py Wed Jul 15 17:45:07 2009
@@ -441,7 +441,7 @@
     return index
 
 
-def read(id=None, file=None, dir=None, file_data=None, mol_name_col=None, 
res_num_col=None, res_name_col=None, spin_num_col=None, spin_name_col=None, 
data_col=None, error_col=None, sep=None):
+def read(id=None, file=None, dir=None, file_data=None, spin_id=None, 
mol_name_col=None, res_num_col=None, res_name_col=None, spin_num_col=None, 
spin_name_col=None, data_col=None, error_col=None, sep=None):
     """Read the PCS data from file.
 
     @param id:              The alignment identification string.
@@ -455,6 +455,8 @@
                             correct format.  The format is a list of lists 
where the first index
                             corresponds to the row and the second the column.
     @type file_data:        list of lists
+    @keyword spin_id:       The spin identification string.
+    @type spin_id:          None or str
     @param mol_name_col:    The column containing the molecule name 
information.
     @type mol_name_col:     int or None
     @param res_name_col:    The column containing the residue name 
information.
@@ -584,7 +586,7 @@
             raise RelaxError, "An invalid error value of zero has been 
encountered."
 
         # Get the corresponding spin container.
-        spin = return_spin(id)
+        spin = return_spin([id, spin_id])
         if spin == None:
             raise RelaxNoSpinError, id
 

Modified: 1.3/prompt/pcs.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/prompt/pcs.py?rev=9238&r1=9237&r2=9238&view=diff
==============================================================================
--- 1.3/prompt/pcs.py (original)
+++ 1.3/prompt/pcs.py Wed Jul 15 17:45:07 2009
@@ -265,7 +265,7 @@
         pcs.display(id=id)
 
 
-    def read(self, id=None, file=None, dir=None, mol_name_col=None, 
res_num_col=None, res_name_col=None, spin_num_col=None, spin_name_col=None, 
data_col=None, error_col=None, sep=None):
+    def read(self, id=None, file=None, dir=None, spin_id=None, 
mol_name_col=None, res_num_col=None, res_name_col=None, spin_num_col=None, 
spin_name_col=None, data_col=None, error_col=None, sep=None):
         """Read the PCS data from file.
 
         Keyword Arguments
@@ -276,6 +276,8 @@
         file:  The name of the file containing the PCS data.
 
         dir:  The directory where the file is located.
+
+        spin_id:  The spin identification string.
 
         mol_name_col:  The molecule name column (this defaults to no column).
 
@@ -301,6 +303,13 @@
         separated by the symbol ',', and store the PCSs under the identifier 
'Tb'.
 
         relax> pcs.read('Tb', 'Tb.txt', sep=',')
+
+
+        To read the 15N and 1H PCSs from the file 'Eu.txt', where the 15N 
values are in the 4th
+        column and the 1H in the 9th, type both the following:
+
+        relax> rdc.read('Tb', 'Tb.txt', spin_id='@N', res_num_col=0, 
data_col=3)
+        relax> rdc.read('Tb', 'Tb.txt', spin_id='@H', res_num_col=0, 
data_col=8)
         """
 
         # Function intro text.
@@ -309,6 +318,7 @@
             text = text + "id=" + `id`
             text = text + ", file=" + `file`
             text = text + ", dir=" + `dir`
+            text = text + ", spin_id=" + `spin_id`
             text = text + ", mol_name_col=" + `mol_name_col`
             text = text + ", res_num_col=" + `res_num_col`
             text = text + ", res_name_col=" + `res_name_col`
@@ -331,6 +341,10 @@
         if dir != None and type(dir) != str:
             raise RelaxNoneStrError, ('directory name', dir)
 
+        # Spin identifier.
+        if spin_id != None and type(spin_id) != str:
+            raise RelaxNoneStrError, ('spin identifier', spin_id)
+
         # Molecule name column.
         if mol_name_col != None and type(mol_name_col) != int:
             raise RelaxNoneIntError, ('molecule name column', mol_name_col)
@@ -364,7 +378,7 @@
             raise RelaxNoneStrError, ('column separator', sep)
 
         # Execute the functional code.
-        pcs.read(id=id, file=file, dir=dir, mol_name_col=mol_name_col, 
res_num_col=res_num_col, res_name_col=res_name_col, 
spin_num_col=spin_num_col, spin_name_col=spin_name_col, data_col=data_col, 
error_col=error_col, sep=sep)
+        pcs.read(id=id, file=file, dir=dir, spin_id=spin_id, 
mol_name_col=mol_name_col, res_num_col=res_num_col, 
res_name_col=res_name_col, spin_num_col=spin_num_col, 
spin_name_col=spin_name_col, data_col=data_col, error_col=error_col, sep=sep)
 
 
     def write(self, id=None, file=None, dir=None, force=False):