diff options
| -rw-r--r-- | src/partialator.c | 16 | ||||
| -rw-r--r-- | src/scaling-report.c | 368 | ||||
| -rw-r--r-- | src/scaling-report.h | 31 |
3 files changed, 387 insertions, 28 deletions
diff --git a/src/partialator.c b/src/partialator.c index 7b8eefa1..19c1b058 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -282,6 +282,8 @@ int main(int argc, char *argv[]) RefList *reference = NULL; int n_dud; int have_reference = 0; + char cmdline[1024]; + SRContext *sr; /* Long options */ const struct option longopts[] = { @@ -296,6 +298,12 @@ int main(int argc, char *argv[]) {0, 0, NULL, 0} }; + cmdline[0] = '\0'; + for ( i=1; i<argc; i++ ) { + strncat(cmdline, argv[i], 1023-strlen(cmdline)); + strncat(cmdline, " ", 1023-strlen(cmdline)); + } + /* Short options */ while ((c = getopt_long(argc, argv, "hi:g:x:j:y:o:b:", longopts, NULL)) != -1) @@ -414,6 +422,8 @@ int main(int argc, char *argv[]) return 1; } + sr = sr_header("scaling-report.pdf", infile, cmdline); + /* Fill in what we know about the images so far */ rewind(fh); nobs = 0; @@ -480,6 +490,8 @@ int main(int argc, char *argv[]) STATUS("Performing initial scaling.\n"); full = scale_intensities(images, n_usable_patterns, reference); + sr_before(sr, images, n_usable_patterns, full); + /* Iterate */ for ( i=0; i<n_iter; i++ ) { @@ -537,18 +549,16 @@ int main(int argc, char *argv[]) } - STATUS("Final scale factors:\n"); n_dud = 0; for ( i=0; i<n_usable_patterns; i++ ) { if ( images[i].pr_dud ) n_dud++; - STATUS("%4i : %5.2f\n", i, images[i].osf); } STATUS("%i images could not be refined on the last cycle.\n", n_dud); /* Output results */ write_reflist(outfile, full, images[0].indexed_cell); - scaling_report("scaling-report.pdf", images, n_usable_patterns, infile); + sr_after(sr, images, n_usable_patterns, full); /* Clean up */ for ( i=0; i<n_usable_patterns; i++ ) { diff --git a/src/scaling-report.c b/src/scaling-report.c index de0e396e..eb4429e4 100644 --- a/src/scaling-report.c +++ b/src/scaling-report.c @@ -16,54 +16,384 @@ #include <cairo.h> #include <cairo-pdf.h> #include <pango/pangocairo.h> +#include <math.h> #include "image.h" +#include "scaling-report.h" -static void write_title(cairo_t *cr, const char *filename, double w, double h) +#define PAGE_WIDTH (842.0) + +enum justification +{ + J_CENTER, + J_LEFT, + J_RIGHT, +}; + + +struct _srcontext +{ + cairo_surface_t *surf; + cairo_t *cr; + double w; + double h; +}; + + +static void show_text(cairo_t *cr, const char *text, double y, + enum justification j, char *font) { - char text[1024]; PangoLayout *layout; PangoFontDescription *fontdesc; int width, height; + PangoAlignment just; - snprintf(text, 1023, "Scaling report: %s", filename); + if ( font == NULL ) font = "Sans 10"; layout = pango_cairo_create_layout(cr); + pango_layout_set_ellipsize(layout, PANGO_ELLIPSIZE_NONE); + pango_layout_set_width(layout, PANGO_SCALE*(PAGE_WIDTH-20.0)); + + switch ( j ) + { + case J_CENTER : just = PANGO_ALIGN_CENTER; break; + case J_LEFT : just = PANGO_ALIGN_LEFT; break; + case J_RIGHT : just = PANGO_ALIGN_RIGHT; break; + default: just = PANGO_ALIGN_LEFT; break; + } + + pango_layout_set_alignment(layout, just); + pango_layout_set_wrap(layout, PANGO_WRAP_CHAR); + pango_layout_set_spacing(layout, 4.0*PANGO_SCALE); + pango_layout_set_text(layout, text, -1); - fontdesc = pango_font_description_from_string("Sans 14 Bold"); + + fontdesc = pango_font_description_from_string(font); pango_layout_set_font_description(layout, fontdesc); pango_cairo_update_layout(cr, layout); pango_layout_get_size(layout, &width, &height); - cairo_move_to(cr, 0.5-width/PANGO_SCALE, 10.0); + cairo_move_to(cr, 10.0, y); + cairo_set_source_rgb(cr, 0.0, 0.0, 0.0); + pango_cairo_show_layout(cr, layout); +} + +static void show_text_simple(cairo_t *cr, const char *text, double x, double y, + char *font, double rot, enum justification j) +{ + PangoLayout *layout; + PangoFontDescription *fontdesc; + int width, height; + + cairo_save(cr); + + if ( font == NULL ) font = "Sans 10"; + + layout = pango_cairo_create_layout(cr); + pango_layout_set_ellipsize(layout, PANGO_ELLIPSIZE_NONE); + pango_layout_set_alignment(layout, PANGO_ALIGN_LEFT); + + pango_layout_set_text(layout, text, -1); + + fontdesc = pango_font_description_from_string(font); + pango_layout_set_font_description(layout, fontdesc); + + pango_cairo_update_layout(cr, layout); + pango_layout_get_size(layout, &width, &height); + + cairo_new_path(cr); + cairo_translate(cr, x, y); + cairo_rotate(cr, rot); + if ( j == J_CENTER ) { + cairo_translate(cr, -(width/2.0)/PANGO_SCALE, + -(height/2.0)/PANGO_SCALE); + } else if ( j == J_RIGHT ) { + cairo_translate(cr, -width/PANGO_SCALE, + -(height/2.0)/PANGO_SCALE); + } else { + cairo_translate(cr, 0.0, -(height/2.0)/PANGO_SCALE); + } cairo_set_source_rgb(cr, 0.0, 0.0, 0.0); pango_cairo_show_layout(cr, layout); + + cairo_restore(cr); } -void scaling_report(const char *filename, const struct image *images, int n, - const char *stream_filename) +static void plot_point(cairo_t *cr, double g_width, double g_height, + double pcalc, double pobs) { - cairo_surface_t *surface; - cairo_t *cr; - const double w = 842.0; - const double h = 595.0; + int bad = 0; + + if ( pobs > 1.0 ) { + pobs = 1.01; + bad = 1; + + } + if ( pcalc > 1.0 ) { + pcalc = 1.01; + bad = 1; + } + + if ( bad ) { + cairo_set_source_rgb(cr, 1.0, 0.0, 0.0); + } + + cairo_arc(cr, g_width*pcalc, g_height*(1.0-pobs), + 1.0, 0.0, 2.0*M_PI); + cairo_fill(cr); + + if ( bad ) { + cairo_set_source_rgb(cr, 0.0, 0.7, 0.0); + } +} + +static void partiality_graph(cairo_t *cr, const struct image *images, int n, + RefList *full) +{ + const double g_width = 200.0; + const double g_height = 200.0; + int i; + const int nbins = 50; + double totals[nbins]; + int counts[nbins]; + double prob; + + show_text_simple(cr, "Observed partiality", -20.0, g_height/2.0, + NULL, -M_PI_2, J_CENTER); + show_text_simple(cr, "Calculated partiality", g_width/2.0, g_height+20.0, + NULL, 0.0, J_CENTER); + + for ( i=0; i<nbins; i++ ) { + totals[i] = 0.0; + counts[i] = 0; + } + + cairo_set_source_rgb(cr, 0.0, 0.7, 0.0); + prob = 1.0 / n; + for ( i=0; i<n; i++ ) { + + Reflection *refl; + RefListIterator *iter; + + if ( images[i].pr_dud ) continue; + + for ( refl = first_refl(images[i].reflections, &iter); + refl != NULL; + refl = next_refl(refl, iter) ) + { + double Ipart, Ifull, pobs, pcalc; + signed int h, k, l; + Reflection *f; + int bin; + + if ( !get_scalable(refl) ) continue; + + get_indices(refl, &h, &k, &l); + f = find_refl(full, h, k, l); + if ( f == NULL ) continue; + + Ipart = get_intensity(refl); + Ifull = get_intensity(f); + + pobs = Ipart/Ifull; + pcalc = get_partiality(refl); + + bin = nbins * pcalc; + totals[bin] += pobs; + counts[bin]++; + + if ( (double)random()/RAND_MAX < prob ) { + plot_point(cr, g_width, g_height, pcalc, pobs); + } - surface = cairo_pdf_surface_create(filename, w, h); + } - if ( cairo_surface_status(surface) != CAIRO_STATUS_SUCCESS ) { + } + + cairo_new_path(cr); + cairo_rectangle(cr, 0.0, 0.0, g_width, g_height); + cairo_clip(cr); + + cairo_new_path(cr); + cairo_move_to(cr, 0.0, g_height); + for ( i=0; i<nbins; i++ ) { + if ( counts[i] == 0 ) continue; + cairo_line_to(cr, g_width*(double)i/nbins, + g_height - g_height*(totals[i]/counts[i])); + } + cairo_set_source_rgb(cr, 0.0, 0.0, 0.0); + cairo_stroke(cr); + + cairo_reset_clip(cr); + + cairo_new_path(cr); + cairo_rectangle(cr, 0.0, 0.0, g_width, g_height); + cairo_set_source_rgb(cr, 0.0, 0.0, 0.0); + cairo_set_line_width(cr, 1.5); + cairo_stroke(cr); +} + + +static void scale_factor_histogram(cairo_t *cr, const struct image *images, + int n, const char *title) +{ + int f_max; + int i, b; + const int nbins = 100; + double osf_max, osf_inc; + double osf_low[nbins]; + double osf_high[nbins]; + int counts[nbins]; + const double g_width = 320.0; + const double g_height = 200.0; + char tmp[32]; + + show_text_simple(cr, title, g_width/2.0, -18.0, + "Sans Bold 10", 0.0, J_CENTER); + + show_text_simple(cr, "Frequency", -50.0, g_height/2.0, + NULL, -M_PI_2, J_CENTER); + + osf_max = 0.0; + for ( i=0; i<n; i++ ) { + double osf = images[i].osf; + if ( osf > osf_max ) osf_max = osf; + } + osf_max = ceil(osf_max); + osf_inc = osf_max / nbins; + + for ( b=0; b<nbins; b++ ) { + osf_low[b] = b*osf_inc; + osf_high[b] = (b+1)*osf_inc; + counts[b] = 0; + } + + for ( i=0; i<n; i++ ) { + + double osf = images[i].osf; + + for ( b=0; b<nbins; b++ ) { + if ( (osf > osf_low[b]) && (osf < osf_high[b]) ) { + counts[b]++; + break; + } + } + } + + f_max = 0; + for ( b=0; b<nbins; b++ ) { + if ( counts[b] > f_max ) f_max = counts[b]; + } + f_max = (f_max/10)*10 + 10; + + show_text_simple(cr, "0", -10.0, g_height, NULL, 0.0, J_RIGHT); + snprintf(tmp, 31, "%i", f_max); + show_text_simple(cr, tmp, -10.0, 0.0, NULL, 0.0, J_RIGHT); + + show_text_simple(cr, "0.00", 0.0, g_height+10.0, + NULL, -M_PI/3.0, J_RIGHT); + snprintf(tmp, 32, "%5.2f", osf_max); + show_text_simple(cr, tmp, g_width, g_height+10.0, + NULL, -M_PI/3.0, J_RIGHT); + + for ( b=0; b<nbins; b++ ) { + + double bar_height; + + bar_height = ((double)counts[b]/f_max)*g_height; + + cairo_new_path(cr); + cairo_rectangle(cr, (g_width/nbins)*b, g_height, + g_width/nbins, -bar_height); + cairo_set_source_rgb(cr, 0.0, 0.0, 1.0); + cairo_set_line_width(cr, 1.0); + cairo_stroke(cr); + + } + + cairo_new_path(cr); + cairo_rectangle(cr, 0.0, 0.0, g_width, g_height); + cairo_set_source_rgb(cr, 0.0, 0.0, 0.0); + cairo_set_line_width(cr, 1.5); + cairo_stroke(cr); +} + + +static void watermark(struct _srcontext *sr) +{ + show_text(sr->cr, "Written by partialator from CrystFEL" + " version "PACKAGE_VERSION, sr->h-15.0, J_RIGHT, + "Sans 7"); +} + + +SRContext *sr_header(const char *filename, const char *stream_filename, + const char *cmdline) +{ + char tmp[1024]; + struct _srcontext *sr; + + sr = malloc(sizeof(*sr)); + if ( sr == NULL ) return NULL; + + sr->w = PAGE_WIDTH; + sr->h = 595.0; + + sr->surf = cairo_pdf_surface_create(filename, sr->w, sr->h); + + if ( cairo_surface_status(sr->surf) != CAIRO_STATUS_SUCCESS ) { fprintf(stderr, "Couldn't create Cairo surface\n"); - cairo_surface_destroy(surface); - return; + cairo_surface_destroy(sr->surf); + free(sr); + return NULL; } - cr = cairo_create(surface); + sr->cr = cairo_create(sr->surf); + + snprintf(tmp, 1023, "Scaling report: %s", stream_filename); + show_text(sr->cr, tmp, 10.0, J_CENTER, "Sans Bold 16"); + snprintf(tmp, 1023, "partialator %s", cmdline); + show_text(sr->cr, tmp, 45.0, J_LEFT, "Mono 7"); + watermark(sr); + + return sr; +} + + +void sr_before(SRContext *sr, struct image *images, int n, RefList *full) +{ + if ( sr == NULL ) return; + + cairo_save(sr->cr); + cairo_translate(sr->cr, 75.0, 100.0); + scale_factor_histogram(sr->cr, images, n, "Before refinement"); + cairo_translate(sr->cr, 60.0, 235.0); + partiality_graph(sr->cr, images, n, full); + cairo_restore(sr->cr); +} + + +void sr_after(SRContext *sr, struct image *images, int n, RefList *full) +{ + if ( sr == NULL ) return; + + cairo_save(sr->cr); + cairo_translate(sr->cr, 475.0, 100.0); + scale_factor_histogram(sr->cr, images, n, "After refinement"); + cairo_translate(sr->cr, 60.0, 235.0); + partiality_graph(sr->cr, images, n, full); + cairo_restore(sr->cr); + + cairo_surface_show_page(sr->surf); + watermark(sr); + - write_title(cr, stream_filename, w, h); + cairo_surface_finish(sr->surf); + cairo_destroy(sr->cr); - cairo_surface_finish(surface); - cairo_destroy(cr); + free(sr); } diff --git a/src/scaling-report.h b/src/scaling-report.h index 3186c5f7..063a0f39 100644 --- a/src/scaling-report.h +++ b/src/scaling-report.h @@ -19,16 +19,35 @@ #include "utils.h" +typedef struct _srcontext SRContext; /* Opaque */ + #ifdef HAVE_CAIRO -extern void scaling_report(const char *filename, const struct image *images, - int n, const char *stream_filename); + +extern SRContext *sr_header(const char *filename, const char *stream_filename, + const char *cmdline); + +extern void sr_before(SRContext *sr, struct image *images, int n, + RefList *full); + +extern void sr_after(SRContext *sr, struct image *images, int n, + RefList *full); + #else -static inline void scaling_report(const char *filename, - const struct image *images, int n, - const char *stream_filename) + +SRContext *sr_header(const char *filename, const char *stream_filename, + const char *cmdline) { - ERROR("Not writing scaling report - no Cairo support.\n"); + return NULL; } + +void sr_before(SRContext *sr, struct image *images, int n, RefList *full) +{ +} + +void sr_after(SRContext *sr, struct image *images, int n, RefList *full) +{ +} + #endif #endif /* SCALING_REPORT_H */ |