diff options
Diffstat (limited to 'src')
-rw-r--r-- | src/render_hkl.c | 57 |
1 files changed, 44 insertions, 13 deletions
diff --git a/src/render_hkl.c b/src/render_hkl.c index 675a93da..2de1452a 100644 --- a/src/render_hkl.c +++ b/src/render_hkl.c @@ -48,8 +48,11 @@ static void render_za(UnitCell *cell, double *ref, unsigned int *c) { cairo_surface_t *surface; cairo_t *dctx; - double max_u, max_v, max_res, max_intensity, scale; + double max_u, max_v, max_res, max_intensity; + double scale_u, scale_v, scale; double sep_u, sep_v, max_r; + double u, v; + signed int max_h, max_k; double as, bs, theta; double asx, asy, asz; double bsx, bsy, bsz; @@ -77,7 +80,7 @@ static void render_za(UnitCell *cell, double *ref, unsigned int *c) cairo_fill(dctx); max_u = 0.0; max_v = 0.0; max_intensity = 0.0; - max_res = 0.0; + max_res = 0.0; max_h = 0; max_k = 0; /* Work out reciprocal lattice spacings and angles for this cut */ if ( cell_get_reciprocal(cell, &asx, &asy, &asz, @@ -118,11 +121,11 @@ static void render_za(UnitCell *cell, double *ref, unsigned int *c) if ( fabs(intensity) > fabs(max_intensity) ) { max_intensity = fabs(intensity); } + if ( fabs(he) > max_h ) max_h = fabs(he); + if ( fabs(ke) > max_k ) max_k = fabs(ke); res = resolution(cell, he, ke, 0); if ( res > max_res ) max_res = res; - - } } @@ -130,8 +133,6 @@ static void render_za(UnitCell *cell, double *ref, unsigned int *c) } max_res /= 1e9; - max_u /= 0.5; - max_v /= 0.5; printf("Maximum resolution is 1/d = %5.3f nm^-1, d = %5.3f nm\n", max_res*2.0, 1.0/(max_res*2.0)); @@ -141,14 +142,14 @@ static void render_za(UnitCell *cell, double *ref, unsigned int *c) } /* Choose whichever scaling factor gives the smallest value */ - scale = ((double)wh-50.0) / (2*max_u); - if ( ((double)ht-50.0) / (2*max_v) < scale ) { - scale = ((double)ht-50.0) / (2*max_v); - } + scale_u = ((double)(wh/2.0)-50.0) / max_u; + scale_v = ((double)(ht/2.0)-50.0) / max_v; + scale = (scale_u < scale_v) ? scale_u : scale_v; sep_u = as * scale * cos(theta); sep_v = bs * scale; - max_r = ((sep_u < sep_v)?sep_u:sep_v); + max_r = (sep_u < sep_v) ? sep_u : sep_v; + max_r -= 1.0; /* Add a tiny separation between circles */ for ( h=-INDMAX; h<INDMAX; h++ ) { for ( k=-INDMAX; k<INDMAX; k++ ) { @@ -172,8 +173,8 @@ static void render_za(UnitCell *cell, double *ref, unsigned int *c) u = (double)he*as*sin(theta); v = (double)he*as*cos(theta) + ke*bs; - cairo_arc(dctx, ((double)wh/2)+u*scale*2, - ((double)ht/2)+v*scale*2, max_r, + cairo_arc(dctx, ((double)wh/2)+u*scale, + ((double)ht/2)+v*scale, max_r, 0, 2*M_PI); cairo_set_source_rgb(dctx, val, val, val); @@ -191,6 +192,36 @@ out: cairo_set_source_rgb(dctx, 1.0, 0.0, 0.0); cairo_fill(dctx); + /* Draw indexing lines */ + cairo_set_line_width(dctx, 4.0); + cairo_move_to(dctx, (double)wh/2, (double)ht/2); + u = (double)max_h*as*sin(theta); + v = (double)max_h*as*cos(theta) + 0*bs; + cairo_line_to(dctx, ((double)wh/2)+u*scale, + ((double)ht/2)+v*scale); + cairo_set_source_rgb(dctx, 0.0, 1.0, 0.0); + cairo_stroke(dctx); + + cairo_move_to(dctx,((double)wh/2)+u*scale-40.0, + ((double)ht/2)+v*scale+40.0); + cairo_set_font_size(dctx, 40.0); + cairo_show_text(dctx, "h"); + cairo_fill(dctx); + + cairo_move_to(dctx, (double)wh/2, (double)ht/2); + u = 0.0; + v = (double)max_k*bs; + cairo_line_to(dctx, ((double)wh/2)+u*scale, + ((double)ht/2)+v*scale); + cairo_set_source_rgb(dctx, 0.0, 1.0, 0.0); + cairo_stroke(dctx); + + cairo_move_to(dctx,((double)wh/2)+u*scale-40.0, + ((double)ht/2)+v*scale-40.0); + cairo_set_font_size(dctx, 40.0); + cairo_show_text(dctx, "k"); + cairo_fill(dctx); + cairo_surface_finish(surface); cairo_destroy(dctx); } |