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authorThomas White <taw@physics.org>2014-04-16 13:41:39 +0200
committerThomas White <taw@physics.org>2014-04-16 13:41:39 +0200
commit1cafb9e537aeb27abf675196fa9b02e9d93c198d (patch)
tree6baf7d333e8c12fb3e981f2b0d74533076d0aaf5
parent60a58bf947a4dc0259488d9ebe5e345f55014722 (diff)
Tidy up XDS indexing
-rw-r--r--libcrystfel/src/xds.c46
1 files changed, 9 insertions, 37 deletions
diff --git a/libcrystfel/src/xds.c b/libcrystfel/src/xds.c
index 33bbe2da..0683e0ad 100644
--- a/libcrystfel/src/xds.c
+++ b/libcrystfel/src/xds.c
@@ -3,12 +3,12 @@
*
* Invoke xds for crystal autoindexing
*
- * Copyright © 2013 Deutsches Elektronen-Synchrotron DESY,
- * a research centre of the Helmholtz Association.
+ * Copyright © 2013-2014 Deutsches Elektronen-Synchrotron DESY,
+ * a research centre of the Helmholtz Association.
* Copyright © 2013 Cornelius Gati
*
* Authors:
- * 2010-2013 Thomas White <taw@physics.org>
+ * 2010-2014 Thomas White <taw@physics.org>
* 2013 Cornelius Gati <cornelius.gati@cfel.de>
*
* This file is part of CrystFEL.
@@ -81,8 +81,6 @@ struct xds_data {
int rbuflen;
/* High-level stuff */
- char newmatfile[128];
- char spotfile[128];
int step;
int finished_ok;
UnitCell *target_cell;
@@ -233,8 +231,7 @@ static int check_cell(struct xds_private *xp, struct image *image,
}
-static int read_cell(const char *filename, struct image *image,
- struct xds_private *xp)
+static int read_cell(struct image *image, struct xds_private *xp)
{
FILE * fh;
float axstar, aystar, azstar;
@@ -301,25 +298,6 @@ static int read_cell(const char *filename, struct image *image,
fclose(fh);
- //printf("asx='%s'\n", asx);
- //printf("asy='%s'\n", asy);
- //printf("asz='%s'\n", asz);
- //printf("cxstar='%f'\n", cxstar);
- //printf("cystar='%f'\n", cystar);
- //printf("czstar='%f'\n", czstar);
- //printf("bsx='%s'\n", bsx);
- //printf("bsy='%s'\n", bsy);
- //printf("bsz='%s'\n", bsz);
- //printf("axstar='%f'\n", axstar);
- //printf("aystar='%f'\n", aystar);
- //printf("azstar='%f'\n", azstar);
- //printf("csx='%s'\n", csx);
- //printf("csy='%s'\n", csy);
- //printf("csz='%s'\n", csz);
- //printf("bxstar='%f'\n", bxstar);
- //printf("bystar='%f'\n", bystar);
- //printf("bzstar='%f'\n", bzstar);
-
cell = cell_new();
cell_set_reciprocal(cell,
axstar*10e9, aystar*10e9, azstar*10e9,
@@ -332,7 +310,7 @@ static int read_cell(const char *filename, struct image *image,
}
-static void write_spot(struct image *image, const char *filename)
+static void write_spot(struct image *image)
{
FILE *fh;
int i;
@@ -547,9 +525,10 @@ int run_xds(struct image *image, IndexingPrivate *priv)
n = image_feature_count(image->features);
if (n < 25) return 0;
- snprintf(xds->spotfile, 127, "SPOT.XDS");
+ write_spot(image);
- write_spot(image, xds->spotfile);
+ /* Delete any old indexing result which may exist */
+ remove("IDXREF.LP");
xds->pid = forkpty(&xds->pty, NULL, NULL, NULL);
@@ -630,14 +609,7 @@ int run_xds(struct image *image, IndexingPrivate *priv)
free(xds->rbuffer);
waitpid(xds->pid, &status, 0);
- //FIXME//
- //if ( xds->finished_ok == 1 ) {
- // ERROR("XDS doesn't seem to be working properly.\n");
- //} else {
- /* Read the XDS NEWMAT file and get cell if found */
- rval = read_cell(xds->newmatfile, image, xp);
-
- //}
+ rval = read_cell(image, xp);
free(xds);