diff options
| 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 /libcrystfel/src/reflist.h | |
| 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 'libcrystfel/src/reflist.h')
| -rw-r--r-- | libcrystfel/src/reflist.h | 10 |
1 files changed, 5 insertions, 5 deletions
diff --git a/libcrystfel/src/reflist.h b/libcrystfel/src/reflist.h index 85a87c54..8b0d8e04 100644 --- a/libcrystfel/src/reflist.h +++ b/libcrystfel/src/reflist.h @@ -3,11 +3,11 @@ * * Fast reflection/peak list * - * Copyright © 2012-2014 Deutsches Elektronen-Synchrotron DESY, + * Copyright © 2012-2015 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: - * 2011-2014 Thomas White <taw@physics.org> + * 2011-2015 Thomas White <taw@physics.org> * * This file is part of CrystFEL. * @@ -84,8 +84,8 @@ extern Reflection *find_refl(const RefList *list, signed int h, signed int k, si extern Reflection *next_found_refl(Reflection *refl); /* Get */ -extern double get_excitation_error(const Reflection *refl); extern void get_detector_pos(const Reflection *refl, double *fs, double *ss); +extern struct panel *get_panel(const Reflection *refl); extern double get_partiality(const Reflection *refl); extern double get_lorentz(const Reflection *refl); extern void get_indices(const Reflection *refl, @@ -106,8 +106,8 @@ extern double get_mean_bg(const Reflection *refl); /* Set */ extern void copy_data(Reflection *to, const Reflection *from); -extern void set_detector_pos(Reflection *refl, double exerr, - double fs, double ss); +extern void set_detector_pos(Reflection *refl, double fs, double ss); +extern void set_panel(Reflection *refl, struct panel *p); extern void set_partial(Reflection *refl, double rlow, double rhigh, double p); extern void set_partiality(Reflection *refl, double p); extern void set_lorentz(Reflection *refl, double L); |