Author: bugman
Date: Sun Nov 25 19:42:30 2007
New Revision: 3945
URL: http://svn.gna.org/viewcvs/relax?rev=3945&view=rev
Log:
Updated the generic_fns.diffusion_tensor.sphere() function.
Modified:
1.3/generic_fns/diffusion_tensor.py
Modified: 1.3/generic_fns/diffusion_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/diffusion_tensor.py?rev=3945&r1=3944&r2=3945&view=diff
==============================================================================
--- 1.3/generic_fns/diffusion_tensor.py (original)
+++ 1.3/generic_fns/diffusion_tensor.py Sun Nov 25 19:42:30 2007
@@ -1237,8 +1237,17 @@
self.fold_angles(self.run)
-def sphere():
- """Function for setting up spherical diffusion."""
+def sphere(params=None, time_scale=None, param_types=None):
+ """Function for setting up a spherical diffusion tensor.
+
+ @param params: The diffusion tensor parameter.
+ @type params: float
+ @param time_scale: The correlation time scaling value.
+ @type time_scale: float
+ @param param_types: The type of parameter supplied. If 0, then the
parameter is tm. If 1, then
+ the parameter is Diso.
+ @type param_types: int
+ """
# Alias the current data pipe.
cdp = relax_data_store[relax_data_store.current_pipe]
@@ -1247,24 +1256,24 @@
cdp.diff_tensor.type = 'sphere'
# tm.
- if self.param_types == 0:
+ if param_types == 0:
# Scaling.
- tm = self.params * self.time_scale
+ tm = params * time_scale
# Set the parameters.
- self.set(run=self.run, value=[tm], param=['tm'])
+ set(value=[tm], param=['tm'])
# Diso
- elif self.param_types == 1:
+ elif param_types == 1:
# Scaling.
- Diso = self.params * self.d_scale
+ Diso = params * d_scale
# Set the parameters.
- self.set(run=self.run, value=[Diso], param=['Diso'])
+ set(value=[Diso], param=['Diso'])
# Unknown parameter combination.
else:
- raise RelaxUnknownParamCombError, ('param_types', self.param_types)
+ raise RelaxUnknownParamCombError, ('param_types', param_types)
def spheroid(self):
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