diff options
| -rw-r--r-- | src/cubeit.c | 25 |
1 files changed, 13 insertions, 12 deletions
diff --git a/src/cubeit.c b/src/cubeit.c index 2fc41698..f1f6286d 100644 --- a/src/cubeit.c +++ b/src/cubeit.c @@ -211,7 +211,7 @@ static void sum_image(void *pg, int cookie) double ax, ay, az; double bx, by, bz; double cx, cy, cz; - int x, y; + int fs, ss; image.features = NULL; image.data = NULL; @@ -234,19 +234,19 @@ static void sum_image(void *pg, int cookie) hdf5_read(hdfile, &image, 1); cell_get_cartesian(apargs->cell, &ax, &ay, &az, &bx, &by, - &bz, &cx, &cy, &cz); + &bz, &cx, &cy, &cz); fesetround(1); /* Round towards nearest */ - for ( x=0; x<image.width; x++ ) { - for ( y=0; y<image.height; y++ ) { + for ( fs=0; fs<image.width; fs++ ) { + for ( ss=0; ss<image.height; ss++ ) { double hd, kd, ld; signed int h, k, l; double dh, dk, dl; struct rvec q; - signed int ha, ka, la; + //signed int ha, ka, la; - q = get_q(&image, x, y, NULL, 1.0/image.lambda); + q = get_q(&image, fs, ss, NULL, 1.0/image.lambda); hd = q.u * ax + q.v * ay + q.w * az; kd = q.u * bx + q.v * by + q.w * bz; @@ -256,21 +256,22 @@ static void sum_image(void *pg, int cookie) k = lrint(kd); l = lrint(ld); - /* FIXME: This is really, really slow. + /* Uncomment this to use symmetry if you only want to look + * at a particular reflection. But it's really really slow. * And wrong. To get useful information from symmetry * averaging, the pattern must be transformed by the * appropriate symmetry operator(s) to bring it into * alignment. */ - get_asymm(h, k, l, &ha, &ka, &la, pargs->sym); - if ( (ha!=pargs->ht) || (ka!=pargs->kt) || (la!=pargs->lt) ) { - continue; - } + //get_asymm(h, k, l, &ha, &ka, &la, pargs->sym); + //if ( (ha!=pargs->ht) || (ka!=pargs->kt) || (la!=pargs->lt) ) { + // continue; + //} dh = hd - h; dk = kd - k; dl = ld - l; - double v = image.data[x+image.width*y]; + double v = image.data[fs+image.width*ss]; pthread_mutex_lock(pargs->vals_mutex); interpolate_onto_grid(pargs->vals, v, pargs->xs, pargs->ys, |