Author: bugman
Date: Wed Sep 24 09:33:25 2014
New Revision: 25988
URL: http://svn.gna.org/viewcvs/relax?rev=25988&view=rev
Log:
Reverted r23200.
The command used was:
svn merge -r23200:23199 .
This is part of restoring the SciPy quadratic integration in the frame order
target functions.
Although incredibly slow, this will be useful for refining the final results,
especially for models
whereby the number of Sobol' points collapses to zero.
.....
r23200 | bugman | 2014-05-16 14:14:48 +0200 (Fri, 16 May 2014) | 5 lines
Changed paths:
M /branches/frame_order_cleanup/target_functions/frame_order.py
Import cleanup for the frame order target functions.
The Scipy quadratic integration functions for the PCS have been removed.
.....
Modified:
branches/frame_order_cleanup/target_functions/frame_order.py
Modified: branches/frame_order_cleanup/target_functions/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/target_functions/frame_order.py?rev=25988&r1=25987&r2=25988&view=diff
==============================================================================
--- branches/frame_order_cleanup/target_functions/frame_order.py
(original)
+++ branches/frame_order_cleanup/target_functions/frame_order.py Wed Sep
24 09:33:25 2014
@@ -38,14 +38,14 @@
from lib.frame_order.conversions import create_rotor_axis_alpha
from lib.frame_order.double_rotor import compile_2nd_matrix_double_rotor,
pcs_numeric_int_double_rotor
from lib.frame_order.free_rotor import compile_2nd_matrix_free_rotor
-from lib.frame_order.iso_cone import compile_2nd_matrix_iso_cone,
pcs_numeric_int_iso_cone_qrint
+from lib.frame_order.iso_cone import compile_2nd_matrix_iso_cone,
pcs_numeric_int_iso_cone, pcs_numeric_int_iso_cone_qrint
from lib.frame_order.iso_cone_free_rotor import
compile_2nd_matrix_iso_cone_free_rotor
-from lib.frame_order.iso_cone_torsionless import
compile_2nd_matrix_iso_cone_torsionless,
pcs_numeric_int_iso_cone_torsionless_qrint
+from lib.frame_order.iso_cone_torsionless import
compile_2nd_matrix_iso_cone_torsionless, pcs_numeric_int_iso_cone_torsionless,
pcs_numeric_int_iso_cone_torsionless_qrint
from lib.frame_order.matrix_ops import reduce_alignment_tensor
-from lib.frame_order.pseudo_ellipse import compile_2nd_matrix_pseudo_ellipse,
pcs_numeric_int_pseudo_ellipse_qrint
+from lib.frame_order.pseudo_ellipse import compile_2nd_matrix_pseudo_ellipse,
pcs_numeric_int_pseudo_ellipse, pcs_numeric_int_pseudo_ellipse_qrint
from lib.frame_order.pseudo_ellipse_free_rotor import
compile_2nd_matrix_pseudo_ellipse_free_rotor
-from lib.frame_order.pseudo_ellipse_torsionless import
compile_2nd_matrix_pseudo_ellipse_torsionless,
pcs_numeric_int_pseudo_ellipse_torsionless_qrint
-from lib.frame_order.rotor import compile_2nd_matrix_rotor,
pcs_numeric_int_rotor_qrint
+from lib.frame_order.pseudo_ellipse_torsionless import
compile_2nd_matrix_pseudo_ellipse_torsionless,
pcs_numeric_int_pseudo_ellipse_torsionless,
pcs_numeric_int_pseudo_ellipse_torsionless_qrint
+from lib.frame_order.rotor import compile_2nd_matrix_rotor,
pcs_numeric_int_rotor, pcs_numeric_int_rotor_qrint
from lib.frame_order.variables import MODEL_DOUBLE_ROTOR, MODEL_FREE_ROTOR,
MODEL_ISO_CONE, MODEL_ISO_CONE_FREE_ROTOR, MODEL_ISO_CONE_TORSIONLESS,
MODEL_PSEUDO_ELLIPSE, MODEL_PSEUDO_ELLIPSE_FREE_ROTOR,
MODEL_PSEUDO_ELLIPSE_TORSIONLESS, MODEL_RIGID, MODEL_ROTOR
from lib.geometry.coord_transform import spherical_to_cartesian
from lib.geometry.rotations import euler_to_R_zyz, tilt_torsion_to_R,
two_vect_to_R
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-commits mailing list
[email protected]
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits
