Check for lattice type should be done before calling match_cell()

1 files changed, 28 insertions, 25 deletions

diff --git a/libcrystfel/src/mosflm.c b/libcrystfel/src/mosflm.c
index 0e00993a..8b86f72c 100644
--- a/libcrystfel/src/mosflm.c
+++ b/libcrystfel/src/mosflm.c
@@ -129,26 +129,8 @@ static int check_cell(struct mosflm_private *mp, struct image *image,
 	UnitCell *out;
 	Crystal *cr;
 
-	if ( mp->indm & INDEXING_CHECK_CELL_COMBINATIONS ) {
-
-		out = match_cell(cell, mp->template, 0, mp->ltl, 1);
-		if ( out == NULL ) return 0;
-
-	} else if ( mp->indm & INDEXING_CHECK_CELL_AXES ) {
-
-		out = match_cell(cell, mp->template, 0, mp->ltl, 0);
-		if ( out == NULL ) return 0;
-
-	} else {
-		out = cell_new_from_cell(cell);
-	}
-
-	cr = crystal_new();
-	if ( cr == NULL ) {
-		ERROR("Failed to allocate crystal.\n");
-		return 0;
-	}
-
+	/* If we sent lattice information, make sure that we got back what we
+	 * asked for, not (e.g.) some "H" version of a rhombohedral R cell */
 	if ( mp->indm & INDEXING_USE_LATTICE_TYPE ) {
 
 		LatticeType latt_m, latt_r;
@@ -159,14 +141,13 @@ static int check_cell(struct mosflm_private *mp, struct image *image,
 		cen_r = cell_get_centering(mp->template);
 
 		/* What we got back */
-		latt_m = cell_get_lattice_type(out);
-		cen_m = cell_get_centering(out);
+		latt_m = cell_get_lattice_type(cell);
+		cen_m = cell_get_centering(cell);
 
 		if ( latt_r != latt_m ) {
 			ERROR("Lattice type produced by MOSFLM (%i) does not "
 			      "match what was requested (%i).  "
 			      "Please report this.\n", latt_m, latt_r);
-			crystal_free(cr);
 			return 0;
 		}
 
@@ -174,17 +155,37 @@ static int check_cell(struct mosflm_private *mp, struct image *image,
 			ERROR("Centering produced by MOSFLM (%c) does not "
 			      "match what was requested (%c).  "
 			      "Please report this.\n", cen_m, cen_r);
-			crystal_free(cr);
 			return 0;
 		}
 
 	}
 
+	if ( mp->indm & INDEXING_CHECK_CELL_COMBINATIONS ) {
+
+		out = match_cell(cell, mp->template, 0, mp->ltl, 1);
+		if ( out == NULL ) return 0;
+
+	} else if ( mp->indm & INDEXING_CHECK_CELL_AXES ) {
+
+		out = match_cell(cell, mp->template, 0, mp->ltl, 0);
+		if ( out == NULL ) return 0;
+
+	} else {
+		out = cell_new_from_cell(cell);
+	}
+
+	cr = crystal_new();
+	if ( cr == NULL ) {
+		ERROR("Failed to allocate crystal.\n");
+		return 0;
+	}
+
 	crystal_set_cell(cr, out);
 
 	if ( mp->indm & INDEXING_CHECK_PEAKS ) {
 		if ( !peak_sanity_check(image, &cr, 1) ) {
-			crystal_free(cr);  /* Frees the cell as well */
+			cell_free(out);
+			crystal_free(cr);
 			return 0;
 		}
 	}
@@ -320,6 +321,8 @@ static int read_newmat(struct mosflm_data *mosflm, const char *filename,
 		mosflm->done = 1;
 	}
 
+	cell_free(cell);
+
         return 0;
 }