Author: bugman Date: Fri Aug 1 11:08:51 2008 New Revision: 7056 URL: http://svn.gna.org/viewcvs/relax?rev=7056&view=rev Log: Converted the VMD class methods into module functions. Modified: 1.3/generic_fns/vmd.py Modified: 1.3/generic_fns/vmd.py URL: http://svn.gna.org/viewcvs/relax/1.3/generic_fns/vmd.py?rev=7056&r1=7055&r2=7056&view=diff ============================================================================== --- 1.3/generic_fns/vmd.py (original) +++ 1.3/generic_fns/vmd.py Fri Aug 1 11:08:51 2008 @@ -35,35 +35,24 @@ from relax_errors import RelaxNoPdbError -# The relax data storage object. +def view(self, run): + """Function for viewing the collection of molecules using VMD.""" + # Test if the module is available. + if not module_avail: + print "VMD is not available (cannot import Scientific.Visualization.VMD due to missing Numeric dependency)." + return + # Test if the PDB file has been loaded. + if not ds.pdb.has_key(run): + raise RelaxNoPdbError, run -class Vmd: - def __init__(self, relax): - """Class containing the functions for viewing molecules.""" + # Create an empty scene. + ds.vmd_scene = VMD.Scene() - self.relax = relax + # Add the molecules to the scene. + for i in xrange(len(ds.pdb[run].structures)): + ds.vmd_scene.addObject(VMD.Molecules(ds.pdb[run].structures[i])) - - def view(self, run): - """Function for viewing the collection of molecules using VMD.""" - - # Test if the module is available. - if not module_avail: - print "VMD is not available (cannot import Scientific.Visualization.VMD due to missing Numeric dependency)." - return - - # Test if the PDB file has been loaded. - if not ds.pdb.has_key(run): - raise RelaxNoPdbError, run - - # Create an empty scene. - ds.vmd_scene = VMD.Scene() - - # Add the molecules to the scene. - for i in xrange(len(ds.pdb[run].structures)): - ds.vmd_scene.addObject(VMD.Molecules(ds.pdb[run].structures[i])) - - # View the scene. - ds.vmd_scene.view() + # View the scene. + ds.vmd_scene.view()