diff options
Diffstat (limited to 'src/peaks.c')
| -rw-r--r-- | src/peaks.c | 25 |
1 files changed, 13 insertions, 12 deletions
diff --git a/src/peaks.c b/src/peaks.c index 0d35c930..05de8fee 100644 --- a/src/peaks.c +++ b/src/peaks.c @@ -618,7 +618,8 @@ int peak_sanity_check(struct image *image, UnitCell *cell, void output_intensities(struct image *image, UnitCell *cell, pthread_mutex_t *mutex, int polar, int sa, - int use_closer, int circular_domain, double domain_r) + int use_closer, FILE *ofh, + int circular_domain, double domain_r) { int i; int n_found; @@ -641,22 +642,22 @@ void output_intensities(struct image *image, UnitCell *cell, /* Explicit printf() used here (not normally allowed) because * we really want to output to stdout */ - printf("Reflections from indexing in %s\n", image->filename); - printf("Orientation (wxyz): %7.5f %7.5f %7.5f %7.5f\n", + fprintf(ofh, "Reflections from indexing in %s\n", image->filename); + fprintf(ofh, "Orientation (wxyz): %7.5f %7.5f %7.5f %7.5f\n", image->orientation.w, image->orientation.x, image->orientation.y, image->orientation.z); cell_get_parameters(cell, &a, &b, &c, &al, &be, &ga); - printf("Cell parameters %7.5f %7.5f %7.5f nm, %7.5f %7.5f %7.5f deg\n", + fprintf(ofh, "Cell parameters %7.5f %7.5f %7.5f nm, %7.5f %7.5f %7.5f deg\n", a*1.0e9, b*1.0e9, c*1.0e9, rad2deg(al), rad2deg(be), rad2deg(ga)); cell_get_reciprocal(cell, &asx, &asy, &asz, &bsx, &bsy, &bsz, &csx, &csy, &csz); - printf("astar = %+9.7f %+9.7f %+9.7f nm^-1\n", + fprintf(ofh, "astar = %+9.7f %+9.7f %+9.7f nm^-1\n", asx/1e9, asy/1e9, asz/1e9); - printf("bstar = %+9.7f %+9.7f %+9.7f nm^-1\n", + fprintf(ofh, "bstar = %+9.7f %+9.7f %+9.7f nm^-1\n", bsx/1e9, bsy/1e9, bsz/1e9); - printf("cstar = %+9.7f %+9.7f %+9.7f nm^-1\n", + fprintf(ofh, "cstar = %+9.7f %+9.7f %+9.7f nm^-1\n", csx/1e9, csy/1e9, csz/1e9); if ( image->f0_available ) { @@ -747,7 +748,7 @@ void output_intensities(struct image *image, UnitCell *cell, } /* Write h,k,l, integrated intensity and centroid coordinates */ - printf("%3i %3i %3i %6f (at %5.2f,%5.2f)\n", + fprintf(ofh, "%3i %3i %3i %6f (at %5.2f,%5.2f)\n", image->hits[i].h, image->hits[i].k, image->hits[i].l, intensity, x, y); @@ -779,16 +780,16 @@ void output_intensities(struct image *image, UnitCell *cell, } - printf("Peak statistics: %i peaks found by the peak search out of " + fprintf(ofh, "Peak statistics: %i peaks found by the peak search out of " "%i were close to indexed positions. " "%i indexed positions out of %i were close to detected peaks.\n", n_foundclose, n_found, n_indclose, image->n_hits); - printf("%i integrations using indexed locations were aborted because " + fprintf(ofh, "%i integrations using indexed locations were aborted because " "they hit one or more bad pixels.\n", n_veto); - printf("%i integrations using peak search locations were aborted " + fprintf(ofh, "%i integrations using peak search locations were aborted " "because they hit one or more bad pixels.\n", n_veto_second); /* Blank line at end */ - printf("\n"); + fprintf(ofh, "\n"); if ( mutex != NULL ) pthread_mutex_unlock(mutex); } |