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-rw-r--r--src/geometry.c15
-rw-r--r--src/indexamajig.c8
-rw-r--r--src/stream.c7
3 files changed, 26 insertions, 4 deletions
diff --git a/src/geometry.c b/src/geometry.c
index 2329b0c7..56bb2b0a 100644
--- a/src/geometry.c
+++ b/src/geometry.c
@@ -236,9 +236,24 @@ RefList *find_intersections(struct image *image, UnitCell *cell)
int hmax, kmax, lmax;
double mres;
signed int h, k, l;
+ double a, b, c, al, be, ga;
reflections = reflist_new();
+ /* Cell angle check from Foadi and Evans (2011) */
+ cell_get_parameters(cell, &a, &b, &c, &al, &be, &ga);
+ if ( al + be + ga >= 2.0*M_PI ) return NULL;
+ if ( al + be - ga >= 2.0*M_PI ) return NULL;
+ if ( al - be + ga >= 2.0*M_PI ) return NULL;
+ if ( - al + be + ga >= 2.0*M_PI ) return NULL;
+ if ( al + be + ga <= 0.0 ) return NULL;
+ if ( al + be - ga <= 0.0 ) return NULL;
+ if ( al - be + ga <= 0.0 ) return NULL;
+ if ( - al + be + ga <= 0.0 ) return NULL;
+ if ( isnan(al) ) return NULL;
+ if ( isnan(be) ) return NULL;
+ if ( isnan(ga) ) return NULL;
+
cell_get_reciprocal(cell, &asx, &asy, &asz,
&bsx, &bsy, &bsz,
&csx, &csy, &csz);
diff --git a/src/indexamajig.c b/src/indexamajig.c
index fb8272ea..e69025e0 100644
--- a/src/indexamajig.c
+++ b/src/indexamajig.c
@@ -325,9 +325,11 @@ static void process_image(void *pp, int cookie)
image.reflections = find_intersections(&image,
image.indexed_cell);
- integrate_reflections(&image, config_polar,
- pargs->static_args.config_closer,
- pargs->static_args.config_bgsub);
+ if ( image.reflections != NULL ) {
+ integrate_reflections(&image, config_polar,
+ pargs->static_args.config_closer,
+ pargs->static_args.config_bgsub);
+ }
} else {
diff --git a/src/stream.c b/src/stream.c
index 316d3bb3..b5ca31bf 100644
--- a/src/stream.c
+++ b/src/stream.c
@@ -272,14 +272,19 @@ void write_chunk(FILE *ofh, struct image *i, int f)
if ( (f & STREAM_PIXELS) || (f & STREAM_INTEGRATED) ) {
+ fprintf(ofh, "\n");
+
if ( i->reflections != NULL ) {
- fprintf(ofh, "\n");
fprintf(ofh, REFLECTION_START_MARKER"\n");
write_reflections_to_file(ofh, i->reflections,
i->indexed_cell);
fprintf(ofh, REFLECTION_END_MARKER"\n");
+ } else {
+
+ fprintf(ofh, "No integrated reflections.\n");
+
}
}