r3859 - /1.3/generic_fns/sequence.py -- November 23, 2007 - 16:29

Author: bugman
Date: Fri Nov 23 16:29:32 2007
New Revision: 3859

URL: http://svn.gna.org/viewcvs/relax?rev=3859&view=rev
Log:
Big improvements to the write() function.


Modified:
    1.3/generic_fns/sequence.py

Modified: 1.3/generic_fns/sequence.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/sequence.py?rev=3859&r1=3858&r2=3859&view=diff
==============================================================================
--- 1.3/generic_fns/sequence.py (original)
+++ 1.3/generic_fns/sequence.py Fri Nov 23 16:29:32 2007
@@ -272,7 +272,7 @@
                 raise RelaxInvalidSeqError, data[i]
 
 
-def write(file=None, dir=None, force=0):
+def write(file=None, dir=None, mol_name_col=None, res_num_col=None, 
res_name_col=None, spin_num_col=None, spin_name_col=None, sep=',', force=0):
     """Function for writing sequence data."""
 
     # Test if the sequence data is loaded.
@@ -282,12 +282,36 @@
     # Open the file for writing.
     seq_file = open_write_file(file, dir, force)
 
+    # No special seperator character.
+    if sep == None:
+        sep = ''
+
     # Write a header.
-    seq_file.write("%-8s%-8s%-8s%-8s%-8s%-10s\n" % ("Mol name", "Res num", 
"Res name", "Spin num", "Spin name", "Selected"))
+    if mol_name_col != None:
+        seq_file.write("%-10s " % ("Mol_name"+sep))
+    if res_num_col != None:
+        seq_file.write("%-10s " % ("Res_num"+sep))
+    if res_name_col != None:
+        seq_file.write("%-10s " % ("Res_name"+sep))
+    if spin_num_col != None:
+        seq_file.write("%-10s " % ("Spin_num"+sep))
+    if spin_name_col != None:
+        seq_file.write("%-10s " % ("Spin_name"+sep))
+    seq_file.write('\n')
 
     # Loop over the spins.
     for spin, mol_name, res_num, res_name in spin_loop(full_info=True):
-        seq_file.write("%-8s%-8s%-8s%-8s%-8s%-10s\n" % (str(mol_name), 
str(res_num), str(res_name), str(spin.num), str(spin.name), str(spin.select)))
+        if mol_name_col != None:
+            seq_file.write("%-10s " % (str(mol_name)+sep))
+        if res_num_col != None:
+            seq_file.write("%-10s " % (str(res_num)+sep))
+        if res_name_col != None:
+            seq_file.write("%-10s " % (str(res_name)+sep))
+        if spin_num_col != None:
+            seq_file.write("%-10s " % (str(spin.num)+sep))
+        if spin_name_col != None:
+            seq_file.write("%-10s " % (str(spin.name)+sep))
+        seq_file.write('\n')
 
     # Close the results file.
     seq_file.close()