Author: bugman Date: Sat Jul 5 15:52:00 2008 New Revision: 6747 URL: http://svn.gna.org/viewcvs/relax?rev=6747&view=rev Log: Converted the fix() class method to a module function. Modified: 1.3/generic_fns/fix.py Modified: 1.3/generic_fns/fix.py URL: http://svn.gna.org/viewcvs/relax/1.3/generic_fns/fix.py?rev=6747&r1=6746&r2=6747&view=diff ============================================================================== --- 1.3/generic_fns/fix.py (original) +++ 1.3/generic_fns/fix.py Sat Jul 5 15:52:00 2008 @@ -31,62 +31,52 @@ from relax_errors import RelaxError, RelaxNoPipeError, RelaxNoSequenceError, RelaxNoTensorError +def fix(self, run, element, fixed): + """Function for fixing or allowing parameter values to change.""" + + # Test if the run exists. + if not run in ds.run_names: + raise RelaxNoPipeError, run + + # Diffusion tensor. + if element == 'diff': + # Test if the diffusion tensor data is loaded. + if not ds.diff.has_key(run): + raise RelaxNoTensorError, 'diffusion' + + # Set the fixed flag. + ds.diff[run].fixed = fixed + # All residues. + elif element == 'all_res': + # Test if sequence data is loaded. + if not ds.res.has_key(run): + raise RelaxNoSequenceError, run -class Fix: - def __init__(self, relax): - """Class containing the function for fixing or allowing parameter values to change.""" - - self.relax = relax + # Loop over the sequence and set the fixed flag. + for i in xrange(len(ds.res[run])): + ds.res[run][i].fixed = fixed - def fix(self, run, element, fixed): - """Function for fixing or allowing parameter values to change.""" + # All parameters. + elif element == 'all': + # Test if sequence data is loaded. + if not ds.res.has_key(run): + raise RelaxNoSequenceError, run - # Test if the run exists. - if not run in ds.run_names: - raise RelaxNoPipeError, run + # Test if the diffusion tensor data is loaded. + if not ds.diff.has_key(run): + raise RelaxNoTensorError, 'diffusion' - # Diffusion tensor. - if element == 'diff': - # Test if the diffusion tensor data is loaded. - if not ds.diff.has_key(run): - raise RelaxNoTensorError, 'diffusion' + # Set the fixed flag for the diffusion tensor. + ds.diff[run].fixed = fixed - # Set the fixed flag. - ds.diff[run].fixed = fixed + # Loop over the sequence and set the fixed flag. + for i in xrange(len(ds.res[run])): + ds.res[run][i].fixed = fixed - # All residues. - elif element == 'all_res': - # Test if sequence data is loaded. - if not ds.res.has_key(run): - raise RelaxNoSequenceError, run - - # Loop over the sequence and set the fixed flag. - for i in xrange(len(ds.res[run])): - ds.res[run][i].fixed = fixed - - - # All parameters. - elif element == 'all': - # Test if sequence data is loaded. - if not ds.res.has_key(run): - raise RelaxNoSequenceError, run - - # Test if the diffusion tensor data is loaded. - if not ds.diff.has_key(run): - raise RelaxNoTensorError, 'diffusion' - - # Set the fixed flag for the diffusion tensor. - ds.diff[run].fixed = fixed - - # Loop over the sequence and set the fixed flag. - for i in xrange(len(ds.res[run])): - ds.res[run][i].fixed = fixed - - - # Unknown. - else: - raise RelaxError, "The 'element' argument " + `element` + " is unknown." + # Unknown. + else: + raise RelaxError, "The 'element' argument " + `element` + " is unknown."