diff options
Diffstat (limited to 'src/render_hkl.c')
| -rw-r--r-- | src/render_hkl.c | 81 |
1 files changed, 37 insertions, 44 deletions
diff --git a/src/render_hkl.c b/src/render_hkl.c index 403a9fa7..f0050f4e 100644 --- a/src/render_hkl.c +++ b/src/render_hkl.c @@ -189,7 +189,6 @@ static void draw_circles(signed int xh, signed int xk, signed int xl, for ( yi=-INDMAX; yi<INDMAX; yi++ ) { double u, v, val, res; - int nequiv, p; signed int h, k, l; h = xi*xh + yi*yh; @@ -221,62 +220,56 @@ static void draw_circles(signed int xh, signed int xk, signed int xl, abort(); } - /* For each equivalent reflection... */ - nequiv = num_equivs(h, k, l, sym); - for ( p=0; p<nequiv; p++ ) { + signed int he, ke, le; + signed int ux, uy, uz; - signed int he, ke, le; - signed int ux, uy, uz; + find_unique_equiv(items, h, k, l, sym, &he, &ke, &le); - get_equiv(h, k, l, &he, &ke, &le, sym, p); + /* Calculate the indices in the 2D basis */ + ux = he*bc[0] + ke*bc[1] + le*bc[2]; + uy = he*bc[3] + ke*bc[4] + le*bc[5]; + uz = he*bc[6] + ke*bc[7] + le*bc[8]; - /* Calculate the indices in the 2D basis */ - ux = he*bc[0] + ke*bc[1] + le*bc[2]; - uy = he*bc[3] + ke*bc[4] + le*bc[5]; - uz = he*bc[6] + ke*bc[7] + le*bc[8]; + /* Reflection in the zone? */ + if ( uz != 0 ) continue; - /* Reflection in the zone? */ - if ( uz != 0 ) continue; + /* Absolute location in image based on 2D basis */ + u = (double)ux*as*sin(theta); + v = (double)ux*as*cos(theta) + (double)uy*bs; - /* Absolute location in image based on 2D basis */ - u = (double)ux*as*sin(theta); - v = (double)ux*as*cos(theta) + (double)uy*bs; + if ( dctx != NULL ) { - if ( dctx != NULL ) { + float r, g, b; - float r, g, b; + cairo_arc(dctx, ((double)cx)+u*scale, + ((double)cy)+v*scale, + radius, 0, 2*M_PI); - cairo_arc(dctx, ((double)cx)+u*scale, - ((double)cy)+v*scale, - radius, 0, 2*M_PI); + render_scale(val, *max_val/boost, colscale, + &r, &g, &b); + cairo_set_source_rgb(dctx, r, g, b); + cairo_fill(dctx); - render_scale(val, *max_val/boost, colscale, - &r, &g, &b); - cairo_set_source_rgb(dctx, r, g, b); - cairo_fill(dctx); + } else { - } else { + /* Find max vectors in plane for scaling */ + if ( fabs(u) > fabs(*max_u) ) *max_u = fabs(u); + if ( fabs(v) > fabs(*max_v) ) *max_v = fabs(v); - /* Find max vectors in plane for scaling */ - if ( fabs(u) > fabs(*max_u) ) *max_u = fabs(u); - if ( fabs(v) > fabs(*max_v) ) *max_v = fabs(v); - - /* Find max value for colour scale */ - if ( fabs(val) > fabs(*max_val) ) { - *max_val = fabs(val); - } - - /* Find max indices */ - if ( (uy==0) && (fabs(ux) > *max_ux) ) - *max_ux = fabs(ux); - if ( (ux==0) && (fabs(uy) > *max_uy) ) - *max_uy = fabs(uy); - - /* Find max resolution */ - res = resolution(cell, he, ke, le); - if ( res > *max_res ) *max_res = res; + /* Find max value for colour scale */ + if ( fabs(val) > fabs(*max_val) ) { + *max_val = fabs(val); } + /* Find max indices */ + if ( (uy==0) && (fabs(ux) > *max_ux) ) + *max_ux = fabs(ux); + if ( (ux==0) && (fabs(uy) > *max_uy) ) + *max_uy = fabs(uy); + + /* Find max resolution */ + res = resolution(cell, he, ke, le); + if ( res > *max_res ) *max_res = res; } } |