Hi all,
I have modified the least square residual classes in cctbx/xray/
targets.h and cctbx.xray to handle refinement against F^2. In the
subsequent tests, the following assertion failure cropped up. It does
not feel to me my changes caused it…
Luc
libtbx.python /Users/luc/Developer/cctbx/cctbx_sources/cctbx/cctbx/
regression/tst_twin_target.py
approx_equal eps: 0.5
approx_equal multiplier: 10000000000.0
-0.510137170481 approx_equal ERROR
0 approx_equal ERROR
Traceback (most recent call last):
File "/Users/luc/Developer/cctbx/cctbx_sources/cctbx/cctbx/
regression/tst_twin_target.py", line 540, in <module>
run()
File "/Users/luc/Developer/cctbx/cctbx_sources/cctbx/cctbx/
regression/tst_twin_target.py", line 488, in run
tst_ls_on_i()
File "/Users/luc/Developer/cctbx/cctbx_sources/cctbx/cctbx/
regression/tst_twin_target.py", line 95, in tst_ls_on_i
assert approx_equal( (fdif_real-old_derivs[0][N_test])/fdif_real,
0, eps=5e-1)
AssertionError
