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-rw-r--r--libcrystfel/src/mosflm.c29
1 files changed, 17 insertions, 12 deletions
diff --git a/libcrystfel/src/mosflm.c b/libcrystfel/src/mosflm.c
index 4eac7874..d9033399 100644
--- a/libcrystfel/src/mosflm.c
+++ b/libcrystfel/src/mosflm.c
@@ -520,9 +520,7 @@ static char *spacegroup_for_lattice(UnitCell *cell)
static void mosflm_send_next(struct image *image, struct mosflm_data *mosflm)
{
char tmp[256];
- char cen;
double wavelength;
- double a = 0, b = 0, c = 0, alpha = 0, beta = 0, gamma = 0;
switch ( mosflm->step )
{
@@ -580,21 +578,28 @@ static void mosflm_send_next(struct image *image, struct mosflm_data *mosflm)
case 8 :
if ( mosflm->mp->indm & INDEXING_USE_CELL_PARAMETERS ) {
+
+ char cen;
+ double a, b, c, alpha, beta, gamma;
+
cell_get_parameters(mosflm->mp->template,
&a, &b, &c, &alpha, &beta, &gamma);
cen = cell_get_centering(mosflm->mp->template);
+
+ 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;