diff options
| -rw-r--r-- | src/partial_sim.c | 19 |
1 files changed, 14 insertions, 5 deletions
diff --git a/src/partial_sim.c b/src/partial_sim.c index aec97810..d6b5fb98 100644 --- a/src/partial_sim.c +++ b/src/partial_sim.c @@ -69,7 +69,7 @@ static void calculate_partials(RefList *partial, double osf, int random_intensities, pthread_mutex_t *full_lock, unsigned long int *n_ref, double *p_hist, - double max_q, UnitCell *cell) + double *p_max, double max_q, UnitCell *cell) { Reflection *refl; RefListIterator *iter; @@ -123,6 +123,7 @@ static void calculate_partials(RefList *partial, double osf, if ( (bin < NBINS) && (bin>=0) ) { p_hist[bin] += p; n_ref[bin]++; + if ( p > p_max[bin] ) p_max[bin] = p; } else { STATUS("Reflection out of histogram range: %e %i %f\n", resolution(cell, h, k, l), bin, p); @@ -182,6 +183,7 @@ struct queue_args /* The overall histogram */ double p_hist[NBINS]; unsigned long int n_ref[NBINS]; + double p_max[NBINS]; FILE *stream; }; @@ -195,6 +197,7 @@ struct worker_args /* Histogram for this image */ double p_hist[NBINS]; unsigned long int n_ref[NBINS]; + double p_max[NBINS]; }; @@ -233,13 +236,14 @@ static void run_job(void *vwargs, int cookie) for ( i=0; i<NBINS; i++ ) { wargs->n_ref[i] = 0; wargs->p_hist[i] = 0.0; + wargs->p_max[i] = 0.0; } calculate_partials(wargs->image.reflections, osf, qargs->full, qargs->sym, qargs->random_intensities, &qargs->full_lock, - wargs->n_ref, wargs->p_hist, qargs->max_q, - wargs->image.indexed_cell); + wargs->n_ref, wargs->p_hist, wargs->p_max, + qargs->max_q, wargs->image.indexed_cell); /* Give a slightly incorrect cell in the stream */ mess_up_cell(wargs->image.indexed_cell, qargs->cnoise); @@ -257,6 +261,9 @@ static void finalise_job(void *vqargs, void *vwargs) for ( i=0; i<NBINS; i++ ) { qargs->n_ref[i] += wargs->n_ref[i]; qargs->p_hist[i] += wargs->p_hist[i]; + if ( wargs->p_max[i] > qargs->p_max[i] ) { + qargs->p_max[i] = wargs->p_max[i]; + } } qargs->n_done++; @@ -496,6 +503,7 @@ int main(int argc, char *argv[]) for ( i=0; i<NBINS; i++ ) { qargs.n_ref[i] = 0; qargs.p_hist[i] = 0.0; + qargs.p_max[i] = 0.0; } run_threads(n_threads, run_job, create_job, finalise_job, @@ -519,9 +527,10 @@ int main(int argc, char *argv[]) rcen = i/(double)NBINS*qargs.max_q + qargs.max_q/(2.0*NBINS); - fprintf(fh, "%.2f %7li %.3f\n", rcen/1.0e9, + fprintf(fh, "%.2f %7li %.3f %.3f\n", rcen/1.0e9, qargs.n_ref[i], - qargs.p_hist[i]/qargs.n_ref[i]); + qargs.p_hist[i]/qargs.n_ref[i], + qargs.p_max[i]); } |