r3813 - /1.3/prompt/sequence.py -- November 22, 2007 - 11:37

Author: bugman
Date: Thu Nov 22 11:37:47 2007
New Revision: 3813

URL: http://svn.gna.org/viewcvs/relax?rev=3813&view=rev
Log:
Updated the sequence.write() user function for the new relax design.


Modified:
    1.3/prompt/sequence.py

Modified: 1.3/prompt/sequence.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/prompt/sequence.py?rev=3813&r1=3812&r2=3813&view=diff
==============================================================================
--- 1.3/prompt/sequence.py (original)
+++ 1.3/prompt/sequence.py Thu Nov 22 11:37:47 2007
@@ -180,17 +180,27 @@
         sequence.read(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, sep=sep)
 
 
-    def write(self, run=None, file=None, dir=None, force=0):
-        """Function for writing the sequence to a file.
+    def write(self, file=None, dir=None, mol_name_col=None, res_num_col=0, 
res_name_col=1, spin_num_col=None, spin_name_col=None, sep=None, force=0):
+        """Function for writing sequences of molecules, residues, and/or 
spins to a file.
 
         Keyword Arguments
         ~~~~~~~~~~~~~~~~~
 
-        run:  The name of the run.
-
         file:  The name of the file.
 
         dir:  The directory name.
+
+        mol_name_col:  The molecule name column (this defaults to no column).
+
+        res_num_col:  The residue number column (the default is 0, i.e. the 
first column).
+
+        res_name_col:  The residue name column (the default is 1, i.e. the 
second column).
+
+        spin_num_col:  The spin number column (this defaults to no column).
+
+        spin_name_col:  The spin name column (this defaults to no column).
+
+        sep:  The column separator (the default is white space).
 
         force:  A flag which, if set to 1, will cause the file to be 
overwritten.
 
@@ -204,15 +214,16 @@
         # Function intro text.
         if self.__relax__.interpreter.intro:
             text = sys.ps3 + "sequence.write("
-            text = text + "run=" + `run`
-            text = text + ", file=" + `file`
+            text = text + "file=" + `file`
             text = text + ", dir=" + `dir`
+            text = text + ", mol_name_col=" + `mol_name_col`
+            text = text + ", res_num_col=" + `res_num_col`
+            text = text + ", res_name_col=" + `res_name_col`
+            text = text + ", spin_num_col=" + `spin_num_col`
+            text = text + ", spin_name_col=" + `spin_name_col`
+            text = text + ", sep=" + `sep`
             text = text + ", force=" + `force` + ")"
             print text
-
-        # The run argument.
-        if type(run) != str:
-            raise RelaxStrError, ('run', run)
 
         # File.
         if type(file) != str:
@@ -222,9 +233,33 @@
         if dir != None and type(dir) != str:
             raise RelaxNoneStrError, ('directory name', dir)
 
+        # Molecule name column.
+        if mol_name_col != None and type(mol_name_col) != int:
+            raise RelaxNoneIntError, ('molecule name column', mol_name_col)
+
+        # Residue number column.
+        if res_name_col != None and type(res_num_col) != int:
+            raise RelaxNoneIntError, ('residue number column', res_num_col)
+
+        # Residue name column.
+        if res_name_col != None and type(res_name_col) != int:
+            raise RelaxNoneIntError, ('residue name column', res_name_col)
+
+        # Spin number column.
+        if spin_num_col != None and type(spin_num_col) != int:
+            raise RelaxNoneIntError, ('spin number column', spin_num_col)
+
+        # Spin name column.
+        if spin_name_col != None and type(spin_name_col) != int:
+            raise RelaxNoneIntError, ('spin name column', spin_name_col)
+
+        # Column separator.
+        if sep != None and type(sep) != str:
+            raise RelaxNoneStrError, ('column separator', sep)
+
         # The force flag.
         if type(force) != int or (force != 0 and force != 1):
             raise RelaxBinError, ('force flag', force)
 
         # Execute the functional code.
-        self.__relax__.generic.sequence.write(run=run, file=file, dir=dir, 
force=force)
+        sequence.write(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, sep=sep, force=force)