diff options
| author | Thomas White <taw@physics.org> | 2015-09-07 13:51:51 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2015-09-07 13:51:51 +0200 |
| commit | 95c89499a52cedc76a496b7f73f2c6ba573ffb0e (patch) | |
| tree | df1ea98544e033dfc75f454ebbd1d1ace245f677 /src/post-refinement.h | |
| parent | 6aeb5402080162c0d0ada81404e1ef025e295099 (diff) | |
partialator: Clarity about log vs non-log residuals
Diffstat (limited to 'src/post-refinement.h')
| -rw-r--r-- | src/post-refinement.h | 18 |
1 files changed, 16 insertions, 2 deletions
diff --git a/src/post-refinement.h b/src/post-refinement.h index fc72918f..f00a11ec 100644 --- a/src/post-refinement.h +++ b/src/post-refinement.h @@ -47,10 +47,18 @@ struct prdata { int refined; int n_filtered; + + /* Before refinement */ double initial_residual; double initial_free_residual; + double initial_log_residual; + double initial_free_log_residual; + + /* After refinement */ double final_residual; double final_free_residual; + double final_log_residual; + double final_free_log_residual; }; enum prflag @@ -69,8 +77,14 @@ extern const char *str_prflag(enum prflag flag); extern void refine_all(Crystal **crystals, int n_crystals, RefList *full, int nthreads, PartialityModel pmodel, int no_scale, int no_pr, - double *initial_residual, double *initial_free_residual, - double *final_residual, double *final_free_residual); + double *initial_residual, + double *initial_free_residual, + double *initial_log_residual, + double *initial_free_log_residual, + double *final_residual, + double *final_free_residual, + double *final_log_residual, + double *final_free_log_residual); /* Exported so it can be poked by tests/pr_p_gradient_check */ extern double gradient(Crystal *cr, int k, Reflection *refl, |