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| author | Thomas White <taw@physics.org> | 2015-03-17 14:34:42 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2015-04-20 15:50:39 +0200 |
| commit | 83e259f5ab54c848e80c33060a48dea379d38f6f (patch) | |
| tree | 9a5971ab25cd8e6835bb25715c2b41ab94090f2e /tests/integration_check.c | |
| parent | 3a1864f93caff3629f64cf4ae8e8fe778c216910 (diff) | |
Make panel assignments invariant during prediction- and post-refinement
Reflections appearing and disappearing are problematic when trying to do a
least-squares refinement. Therefore, assume that reflections stay on
panel and keep them under consideration even if their partialities go to
zero (i.e. they drift off Bragg). This should stabilise both
refinements, and simplifies quite a lot of code.
Collateral "damage": the old "select_intersection()" is now gone.
Diffstat (limited to 'tests/integration_check.c')
| -rw-r--r-- | tests/integration_check.c | 2 |
1 files changed, 1 insertions, 1 deletions
diff --git a/tests/integration_check.c b/tests/integration_check.c index 2d0a6c7a..ccb613c3 100644 --- a/tests/integration_check.c +++ b/tests/integration_check.c @@ -120,7 +120,7 @@ int main(int argc, char *argv[]) list = reflist_new(); refl = add_refl(list, 0, 0, 0); - set_detector_pos(refl, 0.0, 64, 64); + set_detector_pos(refl, 64, 64); cell = cell_new(); cell_set_lattice_type(cell, L_CUBIC); cell_set_centering(cell, 'P'); |