r27652 - /branches/frame_order_cleanup/lib/frame_order/simulation.py -- February 16, 2015 - 10:35

Author: bugman
Date: Mon Feb 16 10:35:33 2015
New Revision: 27652

URL: http://svn.gna.org/viewcvs/relax?rev=27652&view=rev
Log:
The frame_order.distribute user function now warns when the maximum rotations 
are reached.


Modified:
    branches/frame_order_cleanup/lib/frame_order/simulation.py

Modified: branches/frame_order_cleanup/lib/frame_order/simulation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/frame_order/simulation.py?rev=27652&r1=27651&r2=27652&view=diff
==============================================================================
--- branches/frame_order_cleanup/lib/frame_order/simulation.py  (original)
+++ branches/frame_order_cleanup/lib/frame_order/simulation.py  Mon Feb 16 
10:35:33 2015
@@ -26,9 +26,11 @@
 from math import cos, pi, sin, sqrt
 from numpy import dot, eye, float64, swapaxes, transpose, zeros
 import sys
+from warnings import warn
 
 # relax module imports.
 from lib.errors import RelaxError
+from lib.warnings import RelaxWarning
 from lib.frame_order.variables import MODEL_DOUBLE_ROTOR
 from lib.geometry.angles import wrap_angles
 from lib.geometry.rotations import axis_angle_to_R, R_random_hypersphere, 
R_to_tilt_torsion, tilt_torsion_to_R
@@ -295,7 +297,11 @@
         num += 1
 
         # End.
-        if current_state == total or num >= max_rotations:
+        if current_state == total:
+            break
+        if num >= max_rotations:
+            sys.stdout.write('\n')
+            warn(RelaxWarning("Maximum number of rotations encountered - the 
distribution only contains %i states." % current_state))
             break
 
         # Loop over each state, or motional mode.