diff options
Diffstat (limited to 'src/scaling.c')
| -rw-r--r-- | src/scaling.c | 46 |
1 files changed, 27 insertions, 19 deletions
diff --git a/src/scaling.c b/src/scaling.c index 168531e8..9eec8a99 100644 --- a/src/scaling.c +++ b/src/scaling.c @@ -141,7 +141,7 @@ static void scale_crystal(void *task, int id) double G; /* Simple iterative algorithm */ - r = linear_scale(pargs->full, crystal_get_reflections(pargs->crystal), &G); + r = linear_scale(pargs->full, crystal_get_reflections(pargs->crystal), &G, 1); if ( r == 0 ) { crystal_set_osf(pargs->crystal, G); } /* else don't change it */ @@ -178,7 +178,8 @@ static void done_crystal(void *vqargs, void *task) /* Calculates G, by which list2 should be multiplied to fit list1 */ -int linear_scale(const RefList *list1, const RefList *list2, double *G) +int linear_scale(const RefList *list1, const RefList *list2, double *G, + int complain_loudly) { const Reflection *refl1; const Reflection *refl2; @@ -263,17 +264,20 @@ int linear_scale(const RefList *list1, const RefList *list2, double *G) } if ( n < 2 ) { - ERROR("Not enough reflections for scaling (had %i, but %i remain)\n", nb, n); - if ( n_esd1 ) ERROR("%i reference reflection esd\n", n_esd1); - if ( n_esd2 ) ERROR("%i subject reflection esd\n", n_esd2); - if ( n_ih1 ) ERROR("%i reference reflection intensity\n", n_ih1); - if ( n_ih2 ) ERROR("%i subject reflection intensity\n", n_ih2); - if ( n_nan1 ) ERROR("%i reference reflection nan\n", n_nan1); - if ( n_nan2 ) ERROR("%i subject reflection nan\n", n_nan2); - if ( n_inf1 ) ERROR("%i reference reflection inf\n", n_inf1); - if ( n_inf2 ) ERROR("%i subject reflection inf\n", n_inf2); - if ( n_part ) ERROR("%i subject reflection partiality\n", n_part); - if ( n_nom ) ERROR("%i no match in reference list\n", n_nom); + if ( complain_loudly ) { + ERROR("Not enough reflections for scaling (had %i, but %i remain)\n", nb, n); + if ( n_esd1 ) ERROR("%i reference reflection esd\n", n_esd1); + if ( n_esd2 ) ERROR("%i subject reflection esd\n", n_esd2); + if ( n_ih1 ) ERROR("%i reference reflection intensity\n", n_ih1); + if ( n_ih2 ) ERROR("%i subject reflection intensity\n", n_ih2); + if ( n_nan1 ) ERROR("%i reference reflection nan\n", n_nan1); + if ( n_nan2 ) ERROR("%i subject reflection nan\n", n_nan2); + if ( n_inf1 ) ERROR("%i reference reflection inf\n", n_inf1); + if ( n_inf2 ) ERROR("%i subject reflection inf\n", n_inf2); + if ( n_part ) ERROR("%i subject reflection partiality\n", n_part); + if ( n_nom ) ERROR("%i no match in reference list\n", n_nom); + } + *G = 1.0; return 1; } @@ -285,14 +289,18 @@ int linear_scale(const RefList *list1, const RefList *list2, double *G) } if ( isnan(*G) ) { - ERROR("Scaling gave NaN (%i pairs)\n", n); - *G = 1.0; - if ( n < 10 ) { - int i; - for ( i=0; i<n; i++ ) { - STATUS("%i %e %e %e\n", i, x[i], y[i], w[n]); + + if ( complain_loudly ) { + ERROR("Scaling gave NaN (%i pairs)\n", n); + if ( n < 10 ) { + int i; + for ( i=0; i<n; i++ ) { + STATUS("%i %e %e %e\n", i, x[i], y[i], w[n]); + } } } + + *G = 1.0; return 1; } |