diff options
| author | Thomas White <taw@physics.org> | 2018-09-20 16:19:48 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2018-09-20 16:37:04 +0200 |
| commit | e20245aba0c532760a20af76c1316d2c39473dd5 (patch) | |
| tree | 3009e1e490416a1ad0851e98a1610f425d9a8cf6 | |
| parent | ffe31a3582c4b65084ad7bfb0a5833b5ac83d58d (diff) | |
Don't give P centering to Mosflm when not providing cell parameters
It's supposed to ignore it, but apparently it doesn't.
| -rw-r--r-- | libcrystfel/src/mosflm.c | 22 |
1 files changed, 12 insertions, 10 deletions
diff --git a/libcrystfel/src/mosflm.c b/libcrystfel/src/mosflm.c index 56f2ad77..658727b1 100644 --- a/libcrystfel/src/mosflm.c +++ b/libcrystfel/src/mosflm.c @@ -570,18 +570,20 @@ static void mosflm_send_next(struct image *image, struct mosflm_data *mosflm) cell_get_parameters(mosflm->mp->template, &a, &b, &c, &alpha, &beta, &gamma); cen = cell_get_centering(mosflm->mp->template); + /* Old MOSFLM simply ignores CELL and CENTERING subkeywords. + * So this doesn't do any harm. + * TODO: but still better to show WARNING if MOSFLM is old. */ + snprintf(tmp, 255, "AUTOINDEX DPS FILE %s IMAGE 1 " + "MAXCELL 1000 REFINE " + "CELL %.1f %.1f %.1f %.1f %.1f %.1f " + "CENTERING %c\n", + mosflm->sptfile, a*1e10, b*1e10, c*1e10, + rad2deg(alpha), rad2deg(beta), rad2deg(gamma), + cen); } else { - cen = 'P'; - a = 0; /* Disables prior-cell algorithm in MOSFLM */ + snprintf(tmp, 255, "AUTOINDEX DPS FILE %s IMAGE 1 " + "MAXCELL 1000 REFINE\n", mosflm->sptfile); } - /* Old MOSFLM simply ignores CELL and CENTERING subkeywords. - * So this doesn't do any harm. - * TODO: but still better to show WARNING if MOSFLM is old. */ - snprintf(tmp, 255, "AUTOINDEX DPS FILE %s IMAGE 1 MAXCELL 1000 " - "REFINE " - "CELL %.1f %.1f %.1f %.1f %.1f %.1f CENTERING %c\n", - mosflm->sptfile, a*1e10, b*1e10, c*1e10, - rad2deg(alpha), rad2deg(beta), rad2deg(gamma), cen); mosflm_sendline(tmp, mosflm); break; |