r7046 - in /branches/bmrb/generic_fns: __init__.py bmrb.py -- July 31, 2008 - 23:39

Author: bugman
Date: Thu Jul 31 11:52:39 2008
New Revision: 7046

URL: http://svn.gna.org/viewcvs/relax?rev=7046&view=rev
Log:
Added some basic BMRB file format displaying/reading/writing functions.

The STAR format parser and model-free specific code needs to be implemented 
before this code will
work.


Added:
    branches/bmrb/generic_fns/bmrb.py
Modified:
    branches/bmrb/generic_fns/__init__.py

Modified: branches/bmrb/generic_fns/__init__.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/__init__.py?rev=7046&r1=7045&r2=7046&view=diff
==============================================================================
--- branches/bmrb/generic_fns/__init__.py (original)
+++ branches/bmrb/generic_fns/__init__.py Thu Jul 31 11:52:39 2008
@@ -22,6 +22,7 @@
 
 
 __all__ = [ 'angles',
+            'bmrb',
             'dasha',
             'diffusion_tensor',
             'eliminate',

Added: branches/bmrb/generic_fns/bmrb.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/bmrb.py?rev=7046&view=auto
==============================================================================
--- branches/bmrb/generic_fns/bmrb.py (added)
+++ branches/bmrb/generic_fns/bmrb.py Thu Jul 31 11:52:39 2008
@@ -1,0 +1,90 @@
+###############################################################################
+#                                                                            
 #
+# Copyright (C) 2008 Edward d'Auvergne                                       
 #
+#                                                                            
 #
+# This file is part of the program relax.                                    
 #
+#                                                                            
 #
+# relax is free software; you can redistribute it and/or modify              
 #
+# it under the terms of the GNU General Public License as published by       
 #
+# the Free Software Foundation; either version 2 of the License, or          
 #
+# (at your option) any later version.                                        
 #
+#                                                                            
 #
+# relax is distributed in the hope that it will be useful,                   
 #
+# but WITHOUT ANY WARRANTY; without even the implied warranty of             
 #
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the              
 #
+# GNU General Public License for more details.                               
 #
+#                                                                            
 #
+# You should have received a copy of the GNU General Public License          
 #
+# along with relax; if not, write to the Free Software                       
 #
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA  
 #
+#                                                                            
 #
+###############################################################################
+
+# Module docstring.
+"""Module for interfacing with the BMRB (http://www.bmrb.wisc.edu/) by 
handling NMR-STAR v3.1 files."""
+
+# relax module imports.
+from data import Relax_data_store; ds = Relax_data_store()
+from relax_errors import RelaxError, RelaxNoPipeError
+
+
+def display():
+    """Display the results in the BMRB NMR-STAR v3.1 format."""
+
+    # Test if the current data pipe exists.
+    if not ds.current_pipe:
+        raise RelaxNoPipeError
+
+    # Specific results writing function.
+    write_function = get_specific_fn('bmrb_write', 
ds[ds.current_pipe].pipe_type, raise_error=False)
+
+    # Write the results.
+    write_function(sys.stdout)
+
+
+def read(file=None, directory=None):
+    """Read the contents of a BMRB NMR-STAR v3.1 formatted file."""
+
+    # Test if the current data pipe exists.
+    if not ds.current_pipe:
+        raise RelaxNoPipeError
+
+    # Make sure that the data pipe is empty.
+    if not ds[ds.current_pipe].is_empty():
+        raise RelaxError, "The current data pipe is not empty."
+
+    # Get the full file path, for later use.
+    file_path = get_file_path(file_name=file, dir=directory)
+
+    # Open the file.
+    file = open_read_file(file_name=file, dir=directory)
+
+    # Specific results reading function.
+    read_function = get_specific_fn('bmrb_read', 
ds[ds.current_pipe].pipe_type, raise_error=False)
+
+    # Read the results.
+    read_function(file)
+
+
+def write(file=None, directory=None, force=False, compress_type=0, 
verbosity=1):
+    """Create a BMRB NMR-STAR v3.1 formatted file."""
+
+    # Test if the current data pipe exists.
+    if not ds.current_pipe:
+        raise RelaxNoPipeError
+
+    # The special data pipe name directory.
+    if directory == 'pipe_name':
+        directory = ds.current_pipe
+
+    # Specific results writing function.
+    write_function = get_specific_fn('bmrb_write', 
ds[ds.current_pipe].pipe_type, raise_error=False)
+
+    # Open the file for writing.
+    results_file = open_write_file(file_name=file, dir=directory, 
force=force, compress_type=compress_type, verbosity=verbosity)
+
+    # Write the results.
+    write_function(results_file)
+
+    # Close the results file.
+    results_file.close()