From 599ac05b0681404d596a11f2fb36ed0afd7f3694 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 28 Jul 2010 08:09:55 +0200 Subject: render_hkl: Simplify and fix --- src/render_hkl.c | 43 +++++++++++++++---------------------------- 1 file changed, 15 insertions(+), 28 deletions(-) (limited to 'src/render_hkl.c') diff --git a/src/render_hkl.c b/src/render_hkl.c index ea2af1e7..91ec73d7 100644 --- a/src/render_hkl.c +++ b/src/render_hkl.c @@ -190,52 +190,39 @@ static void draw_circles(signed int xh, signed int xk, signed int xl, double u, v, val, res; signed int h, k, l; + signed int he, ke, le; h = xi*xh + yi*yh; k = xi*xk + yi*yk; l = xi*xl + yi*yl; /* Got this reflection? */ - if ( find_unique_equiv(items, h, k, l, sym, &h, &k, &l) == 0 ) { - continue; - } + if ( find_unique_equiv(items, h, k, l, sym, + &he, &ke, &le) == 0 ) continue; switch ( wght ) { case WGHT_I : - val = lookup_intensity(ref, h, k, l); + val = lookup_intensity(ref, he, ke, le); break; case WGHT_SQRTI : - val = lookup_intensity(ref, h, k, l); + val = lookup_intensity(ref, he, ke, le); val = (val>0.0) ? sqrt(val) : 0.0; break; case WGHT_COUNTS : - val = lookup_count(counts, h, k, l); - val /= (float)num_equivs(h, k, l, sym); + val = lookup_count(counts, he, ke, le); + val /= (float)num_equivs(he, ke, le, sym); break; case WGHT_RAWCOUNTS : - val = lookup_count(counts, h, k, l); + val = lookup_count(counts, he, ke, le); break; default : ERROR("Invalid weighting.\n"); abort(); } - signed int he, ke, le; - signed int ux, uy, uz; - - find_unique_equiv(items, h, k, l, sym, &he, &ke, &le); - - /* 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; - /* Absolute location in image based on 2D basis */ - u = (double)ux*as*sin(theta); - v = (double)ux*as*cos(theta) + (double)uy*bs; + u = (double)xi*as*sin(theta); + v = (double)xi*as*cos(theta) + (double)yi*bs; if ( dctx != NULL ) { @@ -262,13 +249,13 @@ static void draw_circles(signed int xh, signed int xk, signed int xl, } /* 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); + if ( (yi==0) && (fabs(xi) > *max_ux) ) + *max_ux = fabs(xi); + if ( (xi==0) && (fabs(yi) > *max_uy) ) + *max_uy = fabs(yi); /* Find max resolution */ - res = resolution(cell, he, ke, le); + res = resolution(cell, h, k, l); if ( res > *max_res ) *max_res = res; } -- cgit v1.2.3