diff options
Diffstat (limited to 'libcrystfel')
| -rw-r--r-- | libcrystfel/src/integration.c | 37 |
1 files changed, 36 insertions, 1 deletions
diff --git a/libcrystfel/src/integration.c b/libcrystfel/src/integration.c index 0acd060a..315c8a33 100644 --- a/libcrystfel/src/integration.c +++ b/libcrystfel/src/integration.c @@ -49,7 +49,8 @@ #include "integration.h" -#define VERBOSITY ((h==0) && (k==13) && (l==13)) +#define VERBOSITY (0) +// ((h==-6) && (k==0) && (l==-8)) static void check_eigen(gsl_vector *e_val) @@ -549,6 +550,23 @@ static int init_intcontext(struct intcontext *ic) } +static void free_intcontext(struct intcontext *ic) +{ + int i; + + free(ic->boxes); + for ( i=0; i<ic->n_reference_profiles; i++ ) { + free(ic->reference_profiles[i]); + free(ic->reference_den[i]); + } + free(ic->reference_profiles); + free(ic->reference_den); + free(ic->n_profiles_in_reference); + free(ic->bm); + gsl_matrix_free(ic->bgm); +} + + static void setup_ring_masks(struct intcontext *ic, double ir_inn, double ir_mid, double ir_out) { @@ -602,6 +620,19 @@ static struct peak_box *add_box(struct intcontext *ic) idx = ic->n_boxes++; + ic->boxes[idx].cfs = 0; + ic->boxes[idx].css = 0; + ic->boxes[idx].bm = NULL; + ic->boxes[idx].pn = -1; + ic->boxes[idx].p = NULL; + ic->boxes[idx].a = 0.0; + ic->boxes[idx].b = 0.0; + ic->boxes[idx].c = 0.0; + ic->boxes[idx].intensity = 0.0; + ic->boxes[idx].sigma = 0.0; + ic->boxes[idx].J = 0.0; + ic->boxes[idx].rp = -1; + ic->boxes[idx].refl = NULL; ic->boxes[idx].verbose = 0; return &ic->boxes[idx]; @@ -1184,6 +1215,8 @@ static void measure_all_intensities(IntegrationMethod meth, RefList *list, } } + free_intcontext(&ic); + image->num_saturated_peaks = n_saturated; } @@ -1581,6 +1614,8 @@ static void integrate_rings(IntegrationMethod meth, Crystal *cr, } + free_intcontext(&ic); + crystal_set_num_saturated_reflections(cr, n_saturated); crystal_set_resolution_limit(cr, limit); crystal_set_reflections(cr, list); |