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authorThomas White <taw@physics.org>2018-09-20 16:19:48 +0200
committerThomas White <taw@physics.org>2018-09-20 16:37:04 +0200
commite20245aba0c532760a20af76c1316d2c39473dd5 (patch)
tree3009e1e490416a1ad0851e98a1610f425d9a8cf6
parentffe31a3582c4b65084ad7bfb0a5833b5ac83d58d (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.c22
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;