r18929 - in /trunk: generic_fns/structure/geometric.py lib/structure/rotor.py -- March 21, 2013 - 15:10

Author: bugman
Date: Thu Mar 21 15:10:11 2013
New Revision: 18929

URL: http://svn.gna.org/viewcvs/relax?rev=18929&view=rev
Log:
The lib.structure.rotor.rotor_pdb() rotor_angle argument should now be in 
radians.

This does not affect the structure.create_rotor_pdb() user function as the
generic_fns.structure.geometric.create_rotor_pdb() function converts the 
value to radians prior to
calling the rotor_pdb() function.


Modified:
    trunk/generic_fns/structure/geometric.py
    trunk/lib/structure/rotor.py

Modified: trunk/generic_fns/structure/geometric.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/structure/geometric.py?rev=18929&r1=18928&r2=18929&view=diff
==============================================================================
--- trunk/generic_fns/structure/geometric.py (original)
+++ trunk/generic_fns/structure/geometric.py Thu Mar 21 15:10:11 2013
@@ -612,6 +612,9 @@
     # Test if the current pipe exists.
     pipes.test()
 
+    # Convert the angle to radians.
+    rotor_angle = rotor_angle / 360.0 * 2.0 * pi
+
     # Create the structural object.
     structure = Internal()
 

Modified: trunk/lib/structure/rotor.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/rotor.py?rev=18929&r1=18928&r2=18929&view=diff
==============================================================================
--- trunk/lib/structure/rotor.py (original)
+++ trunk/lib/structure/rotor.py Thu Mar 21 15:10:11 2013
@@ -37,7 +37,7 @@
 
     @keyword structure:     The internal structural object instance to add 
the rotor to as a molecule.
     @type structure:        generic_fns.structure.internal.Internal instance
-    @keyword rotor_angle:   The angle of the rotor motion in degrees.
+    @keyword rotor_angle:   The angle of the rotor motion in radian.
     @type rotor_angle:      float
     @keyword axis:          The vector defining the rotor axis.
     @type axis:             numpy rank-1, 3D array
@@ -57,7 +57,6 @@
     axis = array(axis, float64)
     axis_pt = array(axis_pt, float64)
     centre = array(centre, float64)
-    rotor_angle = rotor_angle / 360.0 * 2.0 * pi
     span = span * 1e10
     blade_length = blade_length * 1e10