aboutsummaryrefslogtreecommitdiff
path: root/src
diff options
context:
space:
mode:
Diffstat (limited to 'src')
-rw-r--r--src/partialator.c35
-rw-r--r--src/scaling-report.c898
-rw-r--r--src/scaling-report.h82
3 files changed, 2 insertions, 1013 deletions
diff --git a/src/partialator.c b/src/partialator.c
index 8d175d33..e17331e0 100644
--- a/src/partialator.c
+++ b/src/partialator.c
@@ -54,7 +54,6 @@
#include "version.h"
#include "post-refinement.h"
#include "merge.h"
-#include "scaling-report.h"
#include "rejection.h"
@@ -97,7 +96,6 @@ struct queue_args
int n_done;
Crystal **crystals;
int n_crystals;
- struct srdata *srdata;
struct refine_args task_defaults;
};
@@ -134,10 +132,6 @@ static void done_image(void *vqargs, void *task)
struct refine_args *pargs = task;
qargs->n_done++;
- if ( pargs->prdata.refined ) {
- qargs->srdata->n_refined += pargs->prdata.refined;
- qargs->srdata->n_filtered += pargs->prdata.n_filtered;
- }
progress_bar(qargs->n_done, qargs->n_crystals, "Refining");
free(task);
@@ -146,7 +140,7 @@ static void done_image(void *vqargs, void *task)
static void refine_all(Crystal **crystals, int n_crystals,
RefList *full, int nthreads, PartialityModel pmodel,
- int no_scale, struct srdata *srdata)
+ int no_scale)
{
struct refine_args task_defaults;
struct queue_args qargs;
@@ -163,17 +157,12 @@ static void refine_all(Crystal **crystals, int n_crystals,
qargs.n_done = 0;
qargs.n_crystals = n_crystals;
qargs.crystals = crystals;
- qargs.srdata = srdata;
/* Don't have threads which are doing nothing */
if ( n_crystals < nthreads ) nthreads = n_crystals;
run_threads(nthreads, refine_image, get_image, done_image,
&qargs, n_crystals, 0, 0, 0);
-
- STATUS("%5.2f eigenvalues filtered on final iteration per successfully "
- "refined crystal\n",
- (double)srdata->n_filtered/srdata->n_refined);
}
@@ -348,7 +337,6 @@ int main(int argc, char *argv[])
int n_images = 0;
int n_crystals = 0;
char cmdline[1024];
- SRContext *sr;
int no_scale = 0;
Stream *st;
Crystal **crystals;
@@ -356,7 +344,6 @@ int main(int argc, char *argv[])
PartialityModel pmodel = PMODEL_SCSPHERE;
int min_measurements = 2;
char *rval;
- struct srdata srdata;
int polarisation = 1;
double max_adu = +INFINITY;
char *sparams_fn = NULL;
@@ -653,16 +640,6 @@ int main(int argc, char *argv[])
check_rejection(crystals, n_crystals);
- srdata.crystals = crystals;
- srdata.n = n_crystals;
- srdata.full = full;
- srdata.n_filtered = 0;
- srdata.n_refined = 0;
-
- sr = sr_titlepage(crystals, n_crystals, "scaling-report.pdf",
- infile, cmdline);
- sr_iteration(sr, 0, &srdata);
-
show_duds(crystals, n_crystals);
/* Iterate */
@@ -670,11 +647,9 @@ int main(int argc, char *argv[])
STATUS("Refinement cycle %i of %i\n", i+1, n_iter);
- srdata.n_filtered = 0;
-
/* Refine all crystals to get the best fit */
refine_all(crystals, n_crystals, full, nthreads, pmodel,
- no_scale, &srdata);
+ no_scale);
show_duds(crystals, n_crystals);
check_rejection(crystals, n_crystals);
@@ -686,14 +661,8 @@ int main(int argc, char *argv[])
check_rejection(crystals, n_crystals);
- srdata.full = full;
-
- sr_iteration(sr, i+1, &srdata);
-
}
- sr_finish(sr);
-
/* Output results */
write_reflist(outfile, full);
diff --git a/src/scaling-report.c b/src/scaling-report.c
deleted file mode 100644
index ca4c5cbc..00000000
--- a/src/scaling-report.c
+++ /dev/null
@@ -1,898 +0,0 @@
-/*
- * scaling-report.c
- *
- * Write a nice PDF of scaling parameters
- *
- * Copyright © 2012-2013 Deutsches Elektronen-Synchrotron DESY,
- * a research centre of the Helmholtz Association.
- *
- * Authors:
- * 2010-2013 Thomas White <taw@physics.org>
- *
- * This file is part of CrystFEL.
- *
- * CrystFEL is free software: you can redistribute it and/or modify
- * it under the terms of the GNU General Public License as published by
- * the Free Software Foundation, either version 3 of the License, or
- * (at your option) any later version.
- *
- * CrystFEL is distributed in the hope that it will be useful,
- * but WITHOUT ANY WARRANTY; without even the implied warranty of
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
- * GNU General Public License for more details.
- *
- * You should have received a copy of the GNU General Public License
- * along with CrystFEL. If not, see <http://www.gnu.org/licenses/>.
- *
- */
-
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
-
-#include <cairo.h>
-#include <cairo-pdf.h>
-#include <pango/pangocairo.h>
-#include <math.h>
-
-#include "image.h"
-#include "scaling-report.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;
-
- /* Most sampled reflections */
- signed int ms_h[9];
- signed int ms_k[9];
- signed int ms_l[9];
-
-};
-
-
-static void show_text(cairo_t *cr, const char *text, double y,
- enum justification j, char *font)
-{
- PangoLayout *layout;
- PangoFontDescription *fontdesc;
- int width, height;
- PangoAlignment just;
-
- 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(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, 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);
-}
-
-
-static void plot_point(cairo_t *cr, double g_width, double g_height,
- double pcalc, double pobs)
-{
- int bad = 0;
-
- if ( pobs > 1.0 ) {
- pobs = 1.01;
- bad = 1;
-
- }
- if ( pcalc > 1.0 ) {
- pcalc = 1.01;
- bad = 1;
- }
- if ( pobs < 0.0 ) {
- pobs = -0.01;
- bad = 1;
- }
- if ( pcalc < 0.0 ) {
- pobs = -0.01;
- 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, Crystal **crystals, int n,
- RefList *full)
-{
- const double g_width = 200.0;
- const double g_height = 200.0;
- int i;
- const int nbins = 25;
- double t_num[nbins];
- double t_den[nbins];
- double prob;
- double pcalcmin[nbins];
- double pcalcmax[nbins];
- int num_nondud;
- gsl_rng *rng;
-
- 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);
-
- show_text_simple(cr, "0.0", -20.0, g_height, NULL, 0.0, J_CENTER);
- show_text_simple(cr, "1.0", -20.0, 0.0, NULL, 0.0, J_CENTER);
- show_text_simple(cr, "0.0", 0.0, g_height+10.0, NULL,
- -M_PI/3.0, J_RIGHT);
- show_text_simple(cr, "1.0", g_width, g_height+10.0, NULL,
- -M_PI/3.0, J_RIGHT);
-
- for ( i=0; i<nbins; i++ ) {
- t_num[i] = 0.0;
- t_den[i] = 0.0;
- pcalcmin[i] = (double)i/nbins;
- pcalcmax[i] = (double)(i+1)/nbins;
- }
- pcalcmax[nbins-1] += 0.001; /* Make sure it include pcalc = 1 */
-
- num_nondud = 0;
- for ( i=0; i<n; i++ ) {
- if ( crystal_get_user_flag(crystals[i]) ) continue;
- num_nondud++;
- }
-
- /* The reflections chosen for the graph will be the same every time
- * (given the same sequence of input reflections, scalabilities etc) */
- rng = gsl_rng_alloc(gsl_rng_mt19937);
-
- cairo_set_source_rgb(cr, 0.0, 0.7, 0.0);
- prob = 1.0 / num_nondud;
- for ( i=0; i<n; i++ ) {
-
- Reflection *refl;
- RefListIterator *iter;
- Crystal *cryst;
-
- cryst = crystals[i];
-
- if ( crystal_get_user_flag(cryst) ) continue;
-
- for ( refl = first_refl(crystal_get_reflections(cryst), &iter);
- refl != NULL;
- refl = next_refl(refl, iter) )
- {
- double Ipart, Ifull, pobs, pcalc;
- signed int h, k, l;
- Reflection *f;
- int bin;
-
- get_indices(refl, &h, &k, &l);
- f = find_refl(full, h, k, l);
- if ( f == NULL ) continue;
- if ( get_redundancy(f) < 2 ) continue;
-
- Ipart = crystal_get_osf(cryst) * get_intensity(refl);
- Ifull = get_intensity(f);
-
- pobs = Ipart/Ifull;
- pcalc = get_lorentz(refl) * get_partiality(refl);
-
- //STATUS("%4i %4i %4i : %9.6f %9.6f %e %e %e\n",
- // h, k, l, pobs, pcalc,
- // Ipart, Ifull, images[i].osf);
-
- for ( bin=0; bin<nbins; bin++ ) {
- if ( (pcalc >= pcalcmin[bin])
- && (pcalc < pcalcmax[bin]) )
- {
- double esd_pobs, esd_Ip, esd_If;
- esd_Ip = get_esd_intensity(refl);
- esd_If = get_esd_intensity(f);
- esd_If *= crystal_get_osf(cryst);
- esd_pobs = pow(esd_Ip/Ipart, 2.0);
- esd_pobs += pow(esd_If/Ifull, 2.0);
- esd_pobs = sqrt(esd_pobs);
- t_num[bin] += pobs / esd_pobs;
- t_den[bin] += 1.0 / esd_pobs;
- }
- }
-
- bin = nbins * pcalc;
-
- if ( random_flat(rng, 1.0) < prob ) {
- plot_point(cr, g_width, g_height, pcalc, pobs);
- }
- }
-
- }
-
- gsl_rng_free(rng);
-
- 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++ ) {
-
- double pos = pcalcmin[i] + (pcalcmax[i] - pcalcmin[i])/2.0;
-
- if ( t_den[i] == 0.0 ) continue;
- cairo_line_to(cr, g_width*pos,
- g_height - g_height*(t_num[i]/t_den[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 partiality_histogram(cairo_t *cr, Crystal **crystals, int n,
- RefList *full, int calc, int backwards)
-{
- int f_max;
- int i, b;
- const int nbins = 100;
- int counts[nbins];
- const double g_width = 200.0;
- const double g_height = 120.0;
- char tmp[32];
- double text_rot, axis_pos;
-
- if ( backwards ) {
- text_rot = M_PI_2;
- axis_pos = 215.0;
- } else {
- text_rot = -M_PI_2;
- axis_pos = -15.0;
- }
-
- show_text_simple(cr, "Frequency", axis_pos, g_height/2.0,
- NULL, text_rot, J_CENTER);
-
- for ( b=0; b<nbins; b++ ) {
- counts[b] = 0;
- }
-
- for ( i=0; i<n; i++ ) {
-
- Reflection *refl;
- RefListIterator *iter;
- Crystal *cryst = crystals[i];
-
- if ( crystal_get_user_flag(cryst) ) continue;
-
- for ( refl = first_refl(crystal_get_reflections(cryst), &iter);
- refl != NULL;
- refl = next_refl(refl, iter) )
- {
- double Ipart, Ifull, pobs, pcalc;
- signed int h, k, l;
- Reflection *f;
-
- 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 * crystal_get_osf(cryst))
- / (Ifull * get_lorentz(refl));
- pcalc = get_partiality(refl);
-
- if ( calc ) {
- b = pcalc*nbins;
- } else {
- b = pobs*nbins;
- }
- if ( (b>=0) && (b<nbins) ) counts[b]++;
- }
- }
-
- 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;
-
- if ( !backwards ) {
- show_text_simple(cr, "0", axis_pos, g_height,
- NULL, 0.0, J_RIGHT);
- } else {
- show_text_simple(cr, "0", axis_pos, 0.0,
- NULL, M_PI, J_RIGHT);
- }
- snprintf(tmp, 31, "%i", f_max);
- if ( !backwards ) {
- show_text_simple(cr, tmp, axis_pos, 0.0,
- NULL, 0.0, J_RIGHT);
- } else {
- show_text_simple(cr, tmp, axis_pos, g_height,
- NULL, M_PI, J_RIGHT);
- }
-
- for ( b=0; b<nbins; b++ ) {
-
- double bar_height;
-
- bar_height = ((double)counts[b]/f_max)*g_height;
-
- cairo_new_path(cr);
- if ( !backwards ) {
- cairo_rectangle(cr, (g_width/nbins)*b, g_height,
- g_width/nbins, -bar_height);
- } else {
- cairo_rectangle(cr, (g_width/nbins)*b, 0.0,
- 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 scale_factor_histogram(cairo_t *cr, Crystal **crystals, 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 = 180.0;
- char tmp[32];
- int n_zero, n_half;
-
- show_text_simple(cr, title, g_width/2.0, -18.0,
- "Sans Bold 10", 0.0, J_CENTER);
-
- show_text_simple(cr, "Frequency", -15.0, g_height/2.0,
- NULL, -M_PI_2, J_CENTER);
- show_text_simple(cr, "Scale factor", g_width/2.0, g_height+12.0,
- NULL, 0.0, J_CENTER);
-
- osf_max = 0.0;
- for ( i=0; i<n; i++ ) {
- double osf = crystal_get_osf(crystals[i]);
- if ( crystal_get_user_flag(crystals[i]) ) continue;
- if ( osf > osf_max ) osf_max = osf;
- }
- osf_max = ceil(osf_max+osf_max/10000.0);
- if ( osf_max > 1000.0 ) {
- ERROR("Silly scale factor detected. Using 100.0 instead.\n");
- osf_max = 100.0;
- }
-
- do {
-
- 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 = crystal_get_osf(crystals[i]);
-
- if ( crystal_get_user_flag(crystals[i]) ) continue;
-
- for ( b=0; b<nbins; b++ ) {
- if ( (osf >= osf_low[b])
- && (osf < osf_high[b]) )
- {
- counts[b]++;
- break;
- }
- }
- }
-
- n_zero = 0;
- n_half = 0;
- if ( osf_max > 10.0 ) {
-
- /* Count the number of bins with no counts, subtract 1
- * from the maximum value until this isn't the case */
- for ( b=0; b<nbins; b++ ) {
- if ( counts[b] == 0 ) n_zero++;
- n_half++;
- }
- n_half /= 2;
-
- if ( n_zero > n_half ) osf_max -= 1.0;
-
- }
-
- } while ( n_zero > n_half );
-
- 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, 1.0);
- cairo_stroke(cr);
-}
-
-
-static void intensity_histogram(cairo_t *cr, Crystal **crystals, int n,
- RefList *full,
- signed int h, signed int k, signed int l)
-{
- int f_max;
- int i, b;
- const int nbins = 30;
- double int_max, int_inc;
- double int_low[nbins];
- double int_high[nbins];
- int counts[nbins];
- const double g_width = 115.0;
- const double g_height = 55.0;
- char tmp[64];
- Reflection *f;
- double Ifull, dsd_Ifull, pos, mI, bit;
- int have_full;
-
- f = find_refl(full, h, k, l);
- if ( f != NULL ) {
- Ifull = get_intensity(f);
- dsd_Ifull = get_esd_intensity(f) * sqrt(get_redundancy(f));
- have_full = 1;
- } else {
- Ifull = 0.0;
- dsd_Ifull = 0.0;
- have_full = 0;
- }
-
- snprintf(tmp, 63, "%i %i %i", h, k, l);
- show_text_simple(cr, tmp, g_width/2.0, -10.0,
- "Sans Bold 10", 0.0, J_CENTER);
-
- int_max = 0.0;
- int nmeas = 0;
- for ( i=0; i<n; i++ ) {
-
- double osf;
- Crystal *cryst = crystals[i];
-
- if ( crystal_get_user_flag(cryst) ) continue;
-
- osf = crystal_get_osf(cryst);
-
- for ( f = find_refl(crystal_get_reflections(cryst), h, k, l);
- f != NULL;
- f = next_found_refl(f) )
- {
- double Iobs, pcalc, Ifull_est;
-
- pcalc = get_partiality(f);
- Iobs = get_intensity(f);
- Ifull_est = Iobs / (pcalc * osf);
-
- if ( Ifull_est > int_max ) int_max = Ifull_est;
- nmeas++;
- }
-
- }
- int_max *= 1.1;
- int_inc = int_max / nbins;
-
- for ( b=0; b<nbins; b++ ) {
- int_low[b] = b*int_inc;
- int_high[b] = (b+1)*int_inc;
- counts[b] = 0;
- }
-
- for ( i=0; i<n; i++ ) {
-
- double osf;
- Crystal *cryst = crystals[i];
-
- if ( crystal_get_user_flag(cryst) ) continue;
-
- osf = crystal_get_osf(cryst);
-
- for ( f = find_refl(crystal_get_reflections(cryst), h, k, l);
- f != NULL;
- f = next_found_refl(f) )
- {
- double Iobs, pcalc, Ifull_est;
-
- pcalc = get_partiality(f);
- Iobs = get_intensity(f);
- Ifull_est = Iobs / (pcalc * osf);
-
- for ( b=0; b<nbins; b++ ) {
- if ( (Ifull_est >= int_low[b])
- && (Ifull_est < int_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;
-
- snprintf(tmp, 32, "Max I=%.0f", int_max);
- show_text_simple(cr, tmp, 10.0, 10.0, "Sans 9", 0.0, J_LEFT);
-
- 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);
-
- mI = int_high[nbins-1];
- pos = Ifull/mI;
- bit = g_height / 15.0;
- cairo_arc(cr, g_width*pos, g_height+bit, bit, 0.0, 2.0*M_PI);
- if ( have_full ) {
- cairo_set_source_rgb(cr, 0.0, 0.67, 0.45);
- } else {
- cairo_set_source_rgb(cr, 0.86, 0.0, 0.0);
- }
- cairo_fill(cr);
-
- if ( have_full ) {
-
- double eW = g_width*dsd_Ifull/mI;
-
- cairo_new_path(cr);
- cairo_rectangle(cr, 0.0, g_height+bit*2.0,
- g_width, g_height+bit*2.0);
- //cairo_clip(cr);
-
- cairo_new_path(cr);
- cairo_move_to(cr, g_width*pos - eW, g_height+bit);
- cairo_line_to(cr, g_width*pos + eW, g_height+bit);
- cairo_set_source_rgb(cr, 0.0, 0.67, 0.45);
- cairo_set_line_width(cr, 2.0);
- cairo_stroke(cr);
-
- cairo_reset_clip(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");
-}
-
-
-static void new_page(struct _srcontext *sr)
-{
- cairo_show_page(sr->cr);
- watermark(sr);
-}
-
-
-static void find_most_sampled_reflections(RefList *list, int n, signed int *h,
- signed int *k, signed int *l)
-{
- Reflection *refl;
- RefListIterator *iter;
- int *samples;
- int j;
-
- for ( j=0; j<n; j++ ) {
- h[j] = 0;
- k[j] = 0;
- l[j] = 0;
- }
-
- samples = calloc(n, sizeof(int));
-
- for ( refl = first_refl(list, &iter);
- refl != NULL;
- refl = next_refl(refl, iter) )
- {
- int red;
- int i;
-
- red = get_redundancy(refl);
-
- for ( i=0; i<n; i++ ) {
-
- if ( red > samples[i] ) {
-
- int j;
-
- /* Shift everything down */
- for ( j=n-2; j>i; j-- ) {
- h[j+1] = h[j];
- k[j+1] = k[j];
- l[j+1] = l[j];
- samples[j+1] = samples[j];
- }
-
- /* Add this in its place */
- get_indices(refl, &h[i], &k[i], &l[i]);
- samples[i] = red;
-
- /* Don't compare against the others */
- break;
-
- }
-
- }
-
- }
-
- free(samples);
-}
-
-
-
-SRContext *sr_titlepage(Crystal **crystals, int n,
- 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(sr->surf);
- free(sr);
- return NULL;
- }
-
- sr->cr = cairo_create(sr->surf);
- watermark(sr);
-
- snprintf(tmp, 1023, "%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");
-
- return sr;
-}
-
-
-void sr_iteration(SRContext *sr, int iteration, struct srdata *d)
-{
- int i;
- char page_title[1024];
- double dash[] = {2.0, 2.0};
-
- if ( sr == NULL ) return;
-
- snprintf(page_title, 1023, "After %i iteration%s",
- iteration, iteration==1?"":"s");
-
- new_page(sr);
- show_text(sr->cr, page_title, 10.0, J_CENTER, "Sans Bold 16");
-
- cairo_save(sr->cr);
- cairo_translate(sr->cr, 480.0, 350.0);
- scale_factor_histogram(sr->cr, d->crystals, d->n,
- "Distribution of overall scale factors");
- cairo_restore(sr->cr);
-
- /* Draw partiality plots (three graphs together) */
- cairo_save(sr->cr);
-
- cairo_translate(sr->cr, 70.0, 330.0);
- partiality_graph(sr->cr, d->crystals, d->n, d->full);
-
- cairo_save(sr->cr);
- cairo_move_to(sr->cr, 0.0, 0.0);
- cairo_line_to(sr->cr, 0.0, -30.0);
- cairo_move_to(sr->cr, 200.0, 0.0);
- cairo_line_to(sr->cr, 200.0, -30.0);
- cairo_set_dash(sr->cr, dash, 2, 0.0);
- cairo_stroke(sr->cr);
- cairo_set_dash(sr->cr, NULL, 0, 0.0);
- cairo_translate(sr->cr, 0.0, -150.0);
- partiality_histogram(sr->cr, d->crystals, d->n, d->full, 1, 0);
- cairo_restore(sr->cr);
-
- cairo_save(sr->cr);
- cairo_move_to(sr->cr, 200.0, 0.0);
- cairo_line_to(sr->cr, 230.0, 00.0);
- cairo_move_to(sr->cr, 200.0, 200.0);
- cairo_line_to(sr->cr, 230.0, 200.0);
- cairo_set_dash(sr->cr, dash, 2, 0.0);
- cairo_stroke(sr->cr);
- cairo_set_dash(sr->cr, NULL, 0, 0.0);
- cairo_translate(sr->cr, 230.0, 200.0);
- cairo_rotate(sr->cr, -M_PI_2);
- partiality_histogram(sr->cr, d->crystals, d->n, d->full, 0, 1);
- cairo_restore(sr->cr);
-
- cairo_restore(sr->cr);
-
- if ( iteration == 0 ) {
- find_most_sampled_reflections(d->full, 9,
- sr->ms_h, sr->ms_k, sr->ms_l);
- }
-
- for ( i=0; i<9; i++ ) {
-
- int x, y;
-
- x = i % 3;
- y = i / 3;
-
- cairo_save(sr->cr);
- cairo_translate(sr->cr, 400.0+140.0*x, 60.0+80.0*y);
- intensity_histogram(sr->cr, d->crystals, d->n, d->full,
- sr->ms_h[i], sr->ms_k[i], sr->ms_l[i]);
- cairo_restore(sr->cr);
-
- }
-}
-
-
-void sr_finish(SRContext *sr)
-{
- cairo_surface_finish(sr->surf);
- cairo_destroy(sr->cr);
-}
diff --git a/src/scaling-report.h b/src/scaling-report.h
deleted file mode 100644
index 55037038..00000000
--- a/src/scaling-report.h
+++ /dev/null
@@ -1,82 +0,0 @@
-/*
- * scaling-report.h
- *
- * Write a nice PDF of scaling parameters
- *
- * Copyright © 2012-2014 Deutsches Elektronen-Synchrotron DESY,
- * a research centre of the Helmholtz Association.
- *
- * Authors:
- * 2011-2014 Thomas White <taw@physics.org>
- *
- * This file is part of CrystFEL.
- *
- * CrystFEL is free software: you can redistribute it and/or modify
- * it under the terms of the GNU General Public License as published by
- * the Free Software Foundation, either version 3 of the License, or
- * (at your option) any later version.
- *
- * CrystFEL is distributed in the hope that it will be useful,
- * but WITHOUT ANY WARRANTY; without even the implied warranty of
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
- * GNU General Public License for more details.
- *
- * You should have received a copy of the GNU General Public License
- * along with CrystFEL. If not, see <http://www.gnu.org/licenses/>.
- *
- */
-
-#ifndef SCALING_REPORT_H
-#define SCALING_REPORT_H
-
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
-
-
-#include "utils.h"
-
-typedef struct _srcontext SRContext; /* Opaque */
-
-/* Information is logged in this structure */
-struct srdata
-{
- Crystal **crystals;
- int n;
- RefList *full;
-
- int n_filtered;
- int n_refined;
-};
-
-#if defined(HAVE_CAIRO) && defined(HAVE_PANGO) && defined(HAVE_PANGOCAIRO)
-
-extern SRContext *sr_titlepage(Crystal **crystals, int n,
- const char *filename,
- const char *stream_filename,
- const char *cmdline);
-
-extern void sr_iteration(SRContext *sr, int iteration, struct srdata *d);
-
-extern void sr_finish(SRContext *sr);
-
-#else /* defined(HAVE_CAIRO) && defined(HAVE_PANGO) && ... */
-
-SRContext *sr_titlepage(Crystal **crystals, int n, const char *filename,
- const char *stream_filename, const char *cmdline)
-{
- return NULL;
-}
-
-void sr_iteration(SRContext *sr, int iteration, struct srdata *d)
-{
-}
-
-void sr_finish(SRContext *sr)
-{
-}
-
-#endif /* defined(HAVE_CAIRO) && defined(HAVE_PANGO) && ... */
-
-
-#endif /* SCALING_REPORT_H */
generated by cgit v1.2.3 (git 2.25.1) at 2024-11-16 15:36:39 +0000