Author: bugman
Date: Wed Apr 16 14:40:42 2008
New Revision: 5751
URL: http://svn.gna.org/viewcvs/relax?rev=5751&view=rev
Log:
Renamed the opendx.opendx module to opendx.main.
Added:
1.3/opendx/main.py
- copied unchanged from r5750, 1.3/opendx/opendx.py
Removed:
1.3/opendx/opendx.py
Modified:
1.3/opendx/__init__.py
Modified: 1.3/opendx/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/opendx/__init__.py?rev=5751&r1=5750&r2=5751&view=diff
==============================================================================
--- 1.3/opendx/__init__.py (original)
+++ 1.3/opendx/__init__.py Wed Apr 16 14:40:42 2008
@@ -26,4 +26,4 @@
__all__ = ['base_map',
'isosurface_3D',
- 'map']
+ 'main']
Removed: 1.3/opendx/opendx.py
URL: http://svn.gna.org/viewcvs/relax/1.3/opendx/opendx.py?rev=5750&view=auto
==============================================================================
--- 1.3/opendx/opendx.py (original)
+++ 1.3/opendx/opendx.py (removed)
@@ -1,74 +1,0 @@
-###############################################################################
-#
#
-# Copyright (C) 2003-2005, 2007-2008 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
#
-#
#
-###############################################################################
-
-# Python module imports.
-from os import system
-from re import search
-
-# relax module imports.
-from data import Data as relax_data_store
-from isosurface_3D import Iso3D
-from relax_errors import RelaxError, RelaxNoResError
-
-
-def map(run=None, params=None, map_type='Iso3D', res_num=None, inc=20,
lower=None, upper=None, axis_incs=10, file="map", dir="dx", point=None,
point_file="point", remap=None):
- """Function for mapping the given space and creating OpenDX files."""
-
- # Residue index.
- index = None
- if res_num:
- for i in xrange(len(relax_data_store.res[run])):
- if relax_data_store.res[run][i].num == res_num:
- index = i
- break
- if index == None:
- raise RelaxNoResError, res_num
-
- # Space type.
- if search("^[Ii]so3[Dd]", map_type):
- if len(params) != 3:
- raise RelaxError, "The 3D isosurface map requires a 3 parameter
model."
-
- # Create the map.
- self.iso3d.map_space(run, params, res_num, index, inc, lower, upper,
axis_incs, file, dir, point, point_file, remap)
- else:
- raise RelaxError, "The map type '" + map_type + "' is not supported."
-
-
-def run(file="map", dir="dx", dx_exe="dx", vp_exec=1):
- """Function for running OpenDX."""
-
- # Text for changing to the directory dir.
- dir_text = ""
- if dir != None:
- dir_text = " -directory " + dir
-
- # Text for executing OpenDX.
- execute_text = ""
- if vp_exec:
- execute_text = " -execute"
-
- # Test the binary file string corresponds to a valid executable.
- self.relax.IO.test_binary(dx_exe)
-
- # Run OpenDX.
- system(dx_exe + dir_text + " -program " + file + ".net" + execute_text +
" &")
r5751 - in /1.3/opendx: __init__.py main.py opendx.py