diff options
| -rw-r--r-- | doc/man/render_hkl.1 | 5 | ||||
| -rw-r--r-- | src/render_hkl.c | 73 |
2 files changed, 73 insertions, 5 deletions
diff --git a/doc/man/render_hkl.1 b/doc/man/render_hkl.1 index 89dd57d7..ff55e9f0 100644 --- a/doc/man/render_hkl.1 +++ b/doc/man/render_hkl.1 @@ -95,6 +95,11 @@ The default is \fB--weighting=I\fR. .PD Write the selected colour scale out to 'key.pdf' in the current directory. +.PD 0 +.IP \fB--res-ring=\fBres\fR +.PD +Draw a resolution ring at \fIres\fR Angstroms. You can use this option multiple times to get more than one ring. + .SH AUTHOR This page was written by Thomas White. diff --git a/src/render_hkl.c b/src/render_hkl.c index c08f0776..2eb9ef9a 100644 --- a/src/render_hkl.c +++ b/src/render_hkl.c @@ -3,11 +3,11 @@ * * Draw pretty renderings of reflection lists * - * Copyright © 2012 Deutsches Elektronen-Synchrotron DESY, - * a research centre of the Helmholtz Association. + * Copyright © 2012-2013 Deutsches Elektronen-Synchrotron DESY, + * a research centre of the Helmholtz Association. * * Authors: - * 2010-2012 Thomas White <taw@physics.org> + * 2010-2013 Thomas White <taw@physics.org> * * This file is part of CrystFEL. * @@ -89,6 +89,8 @@ static void show_help(const char *s) " rawcts : the raw number of measurements for the\n" " reflection (no 'epsilon' correction).\n" "\n" +" --res-ring=<r> Draw a resolution ring at <r> Angstroms.\n" +"\n" " --colour-key Draw (only) the key for the current colour scale.\n" " The key will be written to 'key.pdf' in the\n" " current directory.\n" @@ -393,12 +395,20 @@ static void render_overlined_indices(cairo_t *dctx, } +struct resrings +{ + double res[100]; + int n_rings; +}; + + static void render_za(UnitCell *cell, RefList *list, double boost, const SymOpList *sym, int wght, int colscale, signed int xh, signed int xk, signed int xl, signed int yh, signed int yk, signed int yl, - const char *outfile, double scale_top, signed int zone) + const char *outfile, double scale_top, signed int zone, + struct resrings *rings) { cairo_surface_t *surface; cairo_t *dctx; @@ -420,6 +430,7 @@ static void render_za(UnitCell *cell, RefList *list, const double border = 200.0; int png; double rmin, rmax; + int i; /* Vector product to determine the zone axis. */ zh = yk*xl - yl*xk; @@ -522,6 +533,29 @@ static void render_za(UnitCell *cell, RefList *list, cairo_set_source_rgb(dctx, 1.0, 0.0, 0.0); cairo_fill(dctx); + /* Resolution rings */ + for ( i=0; i<rings->n_rings; i++ ) { + + char label[32]; + double r = 1.0/(rings->res[i]*1e-10); + + snprintf(label, 31, "%.1f A", rings->res[i]); + + cairo_save(dctx); + cairo_arc(dctx, (double)cx, (double)cy, scale*r, 0, 2*M_PI); + cairo_set_source_rgb(dctx, 1.0, 0.0, 0.0); + cairo_stroke(dctx); + cairo_translate(dctx, cx, cy); + cairo_rotate(dctx, -M_PI/4.0); + cairo_translate(dctx, 0.0, scale*r); + cairo_set_font_size(dctx, 17.0); + cairo_text_extents(dctx, label, &size); + cairo_translate(dctx, -size.width/2.0, 5.0+size.height); + cairo_show_text(dctx, label); + cairo_fill(dctx); + cairo_restore(dctx); + } + /* Draw indexing lines */ cairo_set_line_cap(dctx, CAIRO_LINE_CAP_ROUND); cairo_set_line_width(dctx, 2.0); @@ -684,6 +718,18 @@ static void render_za(UnitCell *cell, RefList *list, #endif /* HAVE_CAIRO */ +static void add_ring(struct resrings *rings, double res) +{ + if ( rings->n_rings == 100 ) { + ERROR("Too many resolution rings.\n"); + return; + } + + rings->res[rings->n_rings] = res; + rings->n_rings++; +} + + int main(int argc, char *argv[]) { int c; @@ -710,6 +756,10 @@ int main(int argc, char *argv[]) double scale_top = -1.0; char *endptr; long int zone = 0; + double res; + struct resrings rings; + + rings.n_rings = 0; /* Long options */ const struct option longopts[] = { @@ -727,6 +777,7 @@ int main(int argc, char *argv[]) {"colour-key", 0, &config_colkey, 1}, {"scale-top", 1, NULL, 2}, {"zone", 1, NULL, 3}, + {"res-ring", 1, NULL, 4}, {0, 0, NULL, 0} }; @@ -798,6 +849,18 @@ int main(int argc, char *argv[]) } break; + case 4 : + errno = 0; + res = strtod(optarg, &endptr); + if ( !( (optarg[0] != '\0') && (endptr[0] == '\0') ) + || (errno != 0) ) + { + ERROR("Invalid resolution ('%s')\n", optarg); + return 1; + } + add_ring(&rings, res); + break; + case 0 : break; @@ -920,7 +983,7 @@ int main(int argc, char *argv[]) } render_za(cell, list, boost, sym, wght, colscale, - rh, rk, rl, dh, dk, dl, outfile, scale_top, zone); + rh, rk, rl, dh, dk, dl, outfile, scale_top, zone, &rings); free(pdb); free_symoplist(sym); |