r22036 - in /branches/double_rotor: ./ pipe_control/structure/main.py user_functions/structure.py -- January 21, 2014 - 10:32

Author: bugman
Date: Tue Jan 21 10:32:48 2014
New Revision: 22036

URL: http://svn.gna.org/viewcvs/relax?rev=22036&view=rev
Log:
Merged revisions 22032 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r22032 | bugman | 2014-01-21 10:23:35 +0100 (Tue, 21 Jan 2014) | 6 lines
  
  The structure.write_pdb user function can now handle a file instance for 
the file argument.
  
  This is for the Structure.test_bug_21522_master_record_atom_count system 
test, to allow a dummy file
  object to be used.  This can also be useful for power users.
........

Modified:
    branches/double_rotor/   (props changed)
    branches/double_rotor/pipe_control/structure/main.py
    branches/double_rotor/user_functions/structure.py

Propchange: branches/double_rotor/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Tue Jan 21 10:32:48 2014
@@ -1,1 +1,1 @@
-/trunk:1-22029,22031
+/trunk:1-22029,22031-22032

Modified: branches/double_rotor/pipe_control/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/double_rotor/pipe_control/structure/main.py?rev=22036&r1=22035&r2=22036&view=diff
==============================================================================
--- branches/double_rotor/pipe_control/structure/main.py (original)
+++ branches/double_rotor/pipe_control/structure/main.py Tue Jan 21 10:32:48 
2014
@@ -1179,8 +1179,8 @@
 def write_pdb(file=None, dir=None, model_num=None, compress_type=0, 
force=False):
     """The PDB writing function.
 
-    @keyword file:          The name of the PDB file to write.
-    @type file:             str
+    @keyword file:          The name of the PDB file to write.  This can 
also be a file instance.
+    @type file:             str or file instance
     @keyword dir:           The directory where the PDB file will be placed. 
 If set to None, then the file will be placed in the current directory.
     @type dir:              str or None
     @keyword model_num:     The model to place into the PDB file.  If not 
supplied, then all models will be placed into the file.
@@ -1198,15 +1198,17 @@
     if not hasattr(cdp, 'structure'):
         raise RelaxError("No structural data is present in the current data 
pipe.")
 
-    # The file path.
-    file_path = get_file_path(file, dir)
-
-    # Add '.pdb' to the end of the file path if it isn't there yet.
-    if not search(".pdb$", file_path):
-        file_path = file_path + '.pdb'
+    # Path handling.
+    if isinstance(file, str):
+        # The file path.
+        file = get_file_path(file, dir)
+
+        # Add '.pdb' to the end of the file path if it isn't there yet.
+        if not search(".pdb$", file):
+            file = file + '.pdb'
 
     # Open the file for writing.
-    file = open_write_file(file_path, compress_type=compress_type, 
force=force)
+    file = open_write_file(file, compress_type=compress_type, force=force)
 
     # Write the structures.
     cdp.structure.write_pdb(file, model_num=model_num)

Modified: branches/double_rotor/user_functions/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/double_rotor/user_functions/structure.py?rev=22036&r1=22035&r2=22036&view=diff
==============================================================================
--- branches/double_rotor/user_functions/structure.py (original)
+++ branches/double_rotor/user_functions/structure.py Tue Jan 21 10:32:48 2014
@@ -1058,7 +1058,7 @@
 uf.title_short = "PDB writing."
 uf.add_keyarg(
     name = "file",
-    py_type = "str",
+    py_type = "str_or_inst",
     arg_type = "file sel",
     desc_short = "file name",
     desc = "The name of the PDB file.",