diff options
| author | Thomas White <taw@physics.org> | 2018-05-02 17:37:12 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2018-05-07 10:08:02 +0200 |
| commit | 294965d42b309e98c8952d3a5dea753af21713a6 (patch) | |
| tree | 99bcc1c0b243d1bc2294595aa69f0c0da297fb79 /src/scaling.h | |
| parent | 73675c8c4cb66245758b705f35255b80b6c8d743 (diff) | |
Preparation for adjusting B factor during post-refinement
Add --no-Bscale option to partialator, and pass down as far as needed
residual() no longer does scaling: call scale_one_crystal() first if necessary
scale_one() replaces old linear_scale() function to scale a pair of RefLists
(but so far does the same as the old function)
Diffstat (limited to 'src/scaling.h')
| -rw-r--r-- | src/scaling.h | 18 |
1 files changed, 13 insertions, 5 deletions
diff --git a/src/scaling.h b/src/scaling.h index 2161f69c..25aca31e 100644 --- a/src/scaling.h +++ b/src/scaling.h @@ -3,11 +3,11 @@ * * Scaling * - * Copyright © 2012-2017 Deutsches Elektronen-Synchrotron DESY, + * Copyright © 2012-2018 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: - * 2010-2017 Thomas White <taw@physics.org> + * 2010-2018 Thomas White <taw@physics.org> * * This file is part of CrystFEL. * @@ -38,12 +38,20 @@ #include "crystal.h" #include "geometry.h" +enum ScaleFlags +{ + SCALE_NO_B, /* Don't use Debye-Waller part */ +}; + extern double log_residual(Crystal *cr, const RefList *full, int free, int *pn_used, const char *filename); -extern int linear_scale(const RefList *list1, const RefList *list2, double *G, - int complain_loudly); +extern int scale_one(const RefList *list1, const RefList *list2, int flags, + double *G, double *B); + +extern int scale_one_crystal(Crystal *cr, const RefList *list2, int flags); -extern void scale_all(Crystal **crystals, int n_crystals, int nthreads); +extern void scale_all(Crystal **crystals, int n_crystals, int nthreads, + int flags); #endif /* SCALING_H */ |