Author: bugman
Date: Sun Nov 2 22:45:54 2014
New Revision: 26421
URL: http://svn.gna.org/viewcvs/relax?rev=26421&view=rev
Log:
A minor speed up for the frame_order_simulate.py script.
The angles are now being calculated at the very start prior to the main loop,
removing repetitive
calculations.
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_simulate.py
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_simulate.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_simulate.py?rev=26421&r1=26420&r2=26421&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_simulate.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_simulate.py
Sun Nov 2 22:45:54 2014
@@ -75,6 +75,19 @@
# Pre-transpose the eigenframe for speed.
eig_frame_T = transpose(EIG_FRAME)
+
+ # Generate the angle data structures.
+ self.angles = []
+ self.angles_deg = []
+ for i in range(INC):
+ # The angle of one increment.
+ inc_angle = pi / INC
+
+ # The angle of the increment.
+ self.angles.append(inc_angle * (i+1))
+
+ # In degrees for the graphs.
+ self.angles_deg.append(self.angles[-1] / (2.0*pi) * 360.0)
# Alias the bound checking methods.
if MODEL == 'pseudo-ellipse':
@@ -125,7 +138,7 @@
# Full.
if self.count[i] == SAMPLE_SIZE:
- sys.stdout.write("\b"*100 + "The angle restriction of
%s deg is complete.\n" % self.get_angle(i, deg=True))
+ sys.stdout.write("\b"*100 + "The angle restriction of
%s deg is complete.\n" % self.angles_deg[i])
self.full[i] = 1
# Increment the global index.
@@ -144,22 +157,6 @@
# Final printout.
sys.stdout.write("Random rotations required: %i\n\n" % index)
-
-
- def get_angle(self, index, deg=False):
- """Return the angle corresponding to the incrementation index."""
-
- # The angle of one increment.
- inc_angle = pi / INC
-
- # The angle of the increment.
- angle = inc_angle * (index+1)
-
- # Return.
- if deg:
- return angle / (2*pi) * 360
- else:
- return angle
def init_storage(self):
@@ -201,18 +198,14 @@
def limits(self, i):
"""Determine the angular restrictions for the increment i."""
- # Get the angle for the increment.
- theta = self.get_angle(i)
-
- # Vary X.
+ # Alias the angle for the increment.
+ theta = self.angles[i]
+
+ # The different angles to vary.
if VAR == 'X':
return theta, THETA_Y, THETA_Z
-
- # Vary Y.
elif VAR == 'Y':
return THETA_X, theta, THETA_Z
-
- # Vary Z.
elif VAR == 'Z':
return THETA_X, THETA_Y, theta
@@ -306,11 +299,7 @@
# Loop over each time point.
for k in range(INC):
- # Get the angle.
- angle = self.get_angle(k, deg=True)
-
- # Write.
- file_1st.write("%s %s\n" % (angle,
self.first_frame_order[k, i, j]))
+ file_1st.write("%s %s\n" % (self.angles_deg[k],
self.first_frame_order[k, i, j]))
# Footer.
file_1st.write("&\n")
@@ -329,11 +318,7 @@
# Loop over each time point.
for k in range(INC):
- # Get the angle.
- angle = self.get_angle(k, deg=True)
-
- # Write.
- file_2nd.write('%s %s\n' % (angle,
self.second_frame_order[k, i, j]))
+ file_2nd.write('%s %s\n' % (self.angles_deg[k],
self.second_frame_order[k, i, j]))
# Footer.
file_2nd.write('&\n')
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