New way of doing cell comparisons, similar to match_cell()

1 files changed, 7 insertions, 73 deletions

diff --git a/src/cell_tool.c b/src/cell_tool.c
index 03c58f5e..d6c5b6cd 100644
--- a/src/cell_tool.c
+++ b/src/cell_tool.c
@@ -72,14 +72,9 @@ static void show_help(const char *s)
 static int comparecells(UnitCell *cell, const char *comparecell,
                         double ltl, double atl)
 {
-	signed int i[9];
-	int b[9];
-	const int maxorder = 2;
 	UnitCell *cell2;
 	RationalMatrix *m;
 
-	STATUS("Comparing with: %s\n", comparecell);
-
 	cell2 = load_cell_from_file(comparecell);
 	if ( cell2 == NULL ) {
 		ERROR("Failed to load unit cell from '%s'\n", comparecell);
@@ -92,75 +87,14 @@ static int comparecells(UnitCell *cell, const char *comparecell,
 	STATUS("------------------> The reference unit cell:\n");
 	cell_print(cell2);
 
-	STATUS("Comparing cells up to %ix each lattice length.\n", maxorder);
-	STATUS("Reciprocal axis length tolerance %f %%\n", ltl);
-	STATUS("Reciprocal angle tolerance %f degrees\n", rad2deg(atl));
-	STATUS("This will take about 30 seconds.  Please wait...\n");
-
-	m = rtnl_mtx_new(3, 3);
-	for ( i[0]=-maxorder; i[0]<=+maxorder; i[0]++ ) {
-	for ( i[1]=-maxorder; i[1]<=+maxorder; i[1]++ ) {
-	for ( i[2]=-maxorder; i[2]<=+maxorder; i[2]++ ) {
-	for ( i[3]=-maxorder; i[3]<=+maxorder; i[3]++ ) {
-	for ( i[4]=-maxorder; i[4]<=+maxorder; i[4]++ ) {
-	for ( i[5]=-maxorder; i[5]<=+maxorder; i[5]++ ) {
-	for ( i[6]=-maxorder; i[6]<=+maxorder; i[6]++ ) {
-	for ( i[7]=-maxorder; i[7]<=+maxorder; i[7]++ ) {
-	for ( i[8]=-maxorder; i[8]<=+maxorder; i[8]++ ) {
-	for ( b[0]=0; b[0]<=1; b[0]++ ) {
-	for ( b[1]=0; b[1]<=1; b[1]++ ) {
-	for ( b[2]=0; b[2]<=1; b[2]++ ) {
-	for ( b[3]=0; b[3]<=1; b[3]++ ) {
-	for ( b[4]=0; b[4]<=1; b[4]++ ) {
-	for ( b[5]=0; b[5]<=1; b[5]++ ) {
-	for ( b[6]=0; b[6]<=1; b[6]++ ) {
-	for ( b[7]=0; b[7]<=1; b[7]++ ) {
-	for ( b[8]=0; b[8]<=1; b[8]++ ) {
-
-		UnitCell *nc;
-		int j, k;
-		int l = 0;
-
-		for ( j=0; j<3; j++ ) {
-		for ( k=0; k<3; k++ ) {
-			if ( b[l] || i[l]==1 || i[l]==-1 ) {
-				rtnl_mtx_set(m, j, k, rtnl(i[l], 1));
-			} else {
-				rtnl_mtx_set(m, j, k, rtnl(1, i[l]));
-			}
-			l++;
-		}
-		}
-
-		nc = cell_transform_rational(cell, m);
-
-		if ( compare_cell_parameters(cell2, nc, ltl, atl) ) {
-			STATUS("-----------------------------------------------"
-			       "-------------------------------------------\n");
-			cell_print(nc);
-			rtnl_mtx_print(m);
-		}
-
-		cell_free(nc);
-
-	}
-	}
-	}
-	}
-	}
-	}
-	}
-	}
-	}
-	}
-	}
-	}
-	}
-	}
-	}
-	}
-	}
+	STATUS("------------------> The comparison results:\n");
+	if ( !compare_reindexed_cell_parameters(cell, cell2, ltl, atl, &m) ) {
+		STATUS("No relationship found between lattices.\n");
+		return 0;
+	} else {
+		STATUS("Relationship found:\n");
 	}
+
 	rtnl_mtx_free(m);
 
 	return 0;