Author: bugman
Date: Thu Apr 3 19:54:07 2014
New Revision: 22637
URL: http://svn.gna.org/viewcvs/relax?rev=22637&view=rev
Log:
Merged revisions 22109-22112 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/double_rotor
........
r22109 | bugman | 2014-02-03 12:36:46 +0100 (Mon, 03 Feb 2014) | 3 lines
Copyright notice update.
........
r22110 | bugman | 2014-02-03 13:35:23 +0100 (Mon, 03 Feb 2014) | 7 lines
Initial implementation of the lib.frame_order.double_rotor module.
This module implements the functions needed to solve the frame order
analysis for the RDC (via the
frame order matrix) and PCS (numerically). The interfaces have been
updated for the double rotor
but most of the code still implements the basic rotor model from which it
derives.
........
r22111 | bugman | 2014-02-03 15:14:22 +0100 (Mon, 03 Feb 2014) | 5 lines
Fix for the double rotor frame order model when only RDCs are used.
The target function was not being aliased when no PCS data was present.
........
r22112 | bugman | 2014-02-03 15:26:28 +0100 (Mon, 03 Feb 2014) | 3 lines
Removal of unused imports from the lib.frame_order.double_rotor module.
........
Added:
trunk/lib/frame_order/double_rotor.py
- copied unchanged from r22112,
branches/double_rotor/lib/frame_order/double_rotor.py
Modified:
trunk/ (props changed)
trunk/lib/frame_order/__init__.py
trunk/target_functions/frame_order.py
Propchange: trunk/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Thu Apr 3 19:54:07 2014
@@ -1 +1 @@
-/branches/double_rotor:1-21950,22022-22023,22039-22040,22047-22048,22056-22064,22066-22067,22070-22073,22106-22107
+/branches/double_rotor:1-21950,22022-22023,22039-22040,22047-22048,22056-22064,22066-22067,22070-22073,22106-22107,22109-22112
Modified: trunk/lib/frame_order/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/__init__.py?rev=22637&r1=22636&r2=22637&view=diff
==============================================================================
--- trunk/lib/frame_order/__init__.py (original)
+++ trunk/lib/frame_order/__init__.py Thu Apr 3 19:54:07 2014
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2013 Edward d'Auvergne
#
+# Copyright (C) 2013-2014 Edward d'Auvergne
#
#
#
# This file is part of the program relax (http://www.nmr-relax.com).
#
#
#
@@ -23,6 +23,7 @@
"""The relax-lib NMR package - a library of functions for the frame order
theories."""
__all__ = [
+ 'double_rotor',
'format',
'free_rotor',
'iso_cone_free_rotor',
Modified: trunk/target_functions/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/target_functions/frame_order.py?rev=22637&r1=22636&r2=22637&view=diff
==============================================================================
--- trunk/target_functions/frame_order.py (original)
+++ trunk/target_functions/frame_order.py Thu Apr 3 19:54:07 2014
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2009-2013 Edward d'Auvergne
#
+# Copyright (C) 2009-2014 Edward d'Auvergne
#
#
#
# This file is part of the program relax (http://www.nmr-relax.com).
#
#
#
@@ -35,6 +35,7 @@
from lib.alignment.rdc import rdc_tensor
from lib.errors import RelaxError
from lib.float import isNaN
+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, pcs_numeric_int_iso_cone_qrint
from lib.frame_order.iso_cone_free_rotor import
compile_2nd_matrix_iso_cone_free_rotor
@@ -364,6 +365,8 @@
self.func = self.func_rigid
elif model == 'free rotor':
self.func = self.func_free_rotor
+ elif model == 'double rotor':
+ self.func = self.func_double_rotor
def _init_tensors(self):
r22637 - in /trunk: ./ lib/frame_order/__init__.py lib/frame_order/double_rotor.py target_functions/frame_order.py