diff options
| -rw-r--r-- | src/post-refinement.c | 10 |
1 files changed, 10 insertions, 0 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index 7e5420d3..bc276fa7 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -324,6 +324,12 @@ static double residual_f(const gsl_vector *v, void *pp) crystal_set_image(cr, &im); apply_parameters(v, pv->initial, pv->rv, cr); + if ( fabs(crystal_get_profile_radius(cr)) > 5e9 ) { + crystal_free(cr); + if ( pv->verbose ) STATUS("radius > 5e9\n"); + return GSL_NAN; + } + if ( im.lambda <= 0.0 ) { crystal_free(cr); if ( pv->verbose ) STATUS("lambda < 0\n"); @@ -857,6 +863,10 @@ static void do_pr_refine(Crystal *cr, const RefList *full, write_specgraph(cr, full, cycle, serial); } + if ( crystal_get_profile_radius(cr) > 5e9 ) { + ERROR("Very large radius: crystal %i\n", serial); + } + gsl_multimin_fminimizer_free(min); gsl_vector_free(priv.initial); gsl_vector_free(priv.vals); |