r9052 - /1.3/generic_fns/sequence.py -- May 12, 2009 - 11:25

Author: bugman
Date: Tue May 12 11:25:38 2009
New Revision: 9052

URL: http://svn.gna.org/viewcvs/relax?rev=9052&view=rev
Log:
Created the compare_sequence() for checking if 2 sequences are the same.


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=9052&r1=9051&r2=9052&view=diff
==============================================================================
--- 1.3/generic_fns/sequence.py (original)
+++ 1.3/generic_fns/sequence.py Tue May 12 11:25:38 2009
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2003-2008 Edward d'Auvergne                                  
 #
+# Copyright (C) 2003-2009 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax.                                    
 #
 #                                                                            
 #
@@ -24,9 +24,9 @@
 """Module for handling the molecule, residue, and spin sequence."""
 
 # relax module imports.
-from generic_fns.mol_res_spin import count_spins, exists_mol_res_spin_data, 
generate_spin_id, return_molecule, return_residue, return_spin, spin_loop
+from generic_fns.mol_res_spin import count_molecules, count_residues, 
count_spins, exists_mol_res_spin_data, generate_spin_id, return_molecule, 
return_residue, return_spin, spin_loop
 import pipes
-from relax_errors import RelaxError, RelaxFileEmptyError, 
RelaxInvalidSeqError, RelaxNoSequenceError, RelaxSequenceError
+from relax_errors import RelaxError, RelaxDiffMolNumError, 
RelaxDiffResNumError, RelaxDiffSeqError, RelaxDiffSpinNumError, 
RelaxFileEmptyError, RelaxInvalidSeqError, RelaxNoSequenceError, 
RelaxSequenceError
 from relax_io import extract_data, open_write_file, strip
 import sys
 
@@ -78,6 +78,59 @@
 
         # Generate the new sequence.
         generate(mol_name, res_num, res_name, spin.num, spin.name, pipe_to, 
select=select, verbose=verbose)
+
+
+def compare_sequence(pipe1=None, pipe2=None, fail=True):
+    """Compare the sequence in two data pipes.
+
+    @keyword pipe1:     The name of the first data pipe.
+    @type pipe1:        str
+    @keyword pipe2:     The name of the second data pipe.
+    @type pipe2:        str
+    @keyword fail:      A flag which if True causes a RelaxError to be 
raised.
+    @type fail:         bool
+    @return:            1 if the sequence is the same, 0 if different.
+    @rtype:             int
+    @raises:            RelaxError if the sequence is different and the fail 
flag is True.
+    """
+
+    # Failure status.
+    status = 1
+
+    # Molecule number.
+    if count_molecules(pipe=pipe1) != count_molecules(pipe=pipe2):
+        status = 0
+        if fail:
+            raise RelaxDiffMolNumError, (pipe1, pipe2)
+
+    # Residue number.
+    if count_residues(pipe=pipe1) != count_residues(pipe=pipe2):
+        status = 0
+        if fail:
+            raise RelaxDiffResNumError, (pipe1, pipe2)
+
+    # Spin number.
+    if count_spins(pipe=pipe1) != count_spins(pipe=pipe2):
+        status = 0
+        if fail:
+            raise RelaxDiffSpinNumError, (pipe1, pipe2)
+
+    # Create a string representation of the 2 sequences.
+    seq1 = ''
+    seq2 = ''
+    for spin, spin_id in spin_loop(return_id=True, pipe=pipe1):
+        seq1 = seq1 + spin_id + '\n'
+    for spin, spin_id in spin_loop(return_id=True, pipe=pipe2):
+        seq2 = seq2 + spin_id + '\n'
+
+    # Sequence check.
+    if seq1 != seq2:
+        status = 0
+        if fail:
+            raise RelaxDiffSeqError, (pipe1, pipe2)
+
+    # Return the status.
+    return status
 
 
 def display(sep=None, mol_name_flag=False, res_num_flag=False, 
res_name_flag=False, spin_num_flag=False, spin_name_flag=False):