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-rw-r--r--src/cell_tool.c11
1 files changed, 8 insertions, 3 deletions
diff --git a/src/cell_tool.c b/src/cell_tool.c
index 652df885..cd457f25 100644
--- a/src/cell_tool.c
+++ b/src/cell_tool.c
@@ -67,12 +67,13 @@ static void show_help(const char *s)
" --tolerance=<tol> Set the tolerances for cell comparison.\n"
" Default: 5,1.5 (axis percentage, angle deg).\n"
" --highres=n Resolution limit (Angstroms) for --rings\n"
+" --csl Allow --compare to find coincidence site lattice relationships.\n"
);
}
static int comparecells(UnitCell *cell, const char *comparecell,
- double ltl, double atl)
+ double ltl, double atl, int csl)
{
UnitCell *cell2;
RationalMatrix *m;
@@ -90,7 +91,7 @@ static int comparecells(UnitCell *cell, const char *comparecell,
cell_print(cell2);
STATUS("------------------> The comparison results:\n");
- if ( !compare_reindexed_cell_parameters(cell, cell2, ltl, atl, &m) ) {
+ if ( !compare_reindexed_cell_parameters(cell, cell2, ltl, atl, csl, &m) ) {
STATUS("No relationship found between lattices.\n");
return 0;
} else {
@@ -425,6 +426,7 @@ int main(int argc, char *argv[])
float highres;
double rmax = 1/(2.0e-10);
char *trans_str = NULL;
+ int csl = 0;
/* Long options */
const struct option longopts[] = {
@@ -440,8 +442,10 @@ int main(int argc, char *argv[])
{"rings", 0, &mode, CT_RINGS},
{"compare-cell", 1, NULL, 3},
{"cell-choices", 0, &mode, CT_CHOICES},
+
{"transform", 1, NULL, 4},
{"highres", 1, NULL, 5},
+ {"csl", 0, &csl, 1},
{0, 0, NULL, 0}
};
@@ -568,7 +572,8 @@ int main(int argc, char *argv[])
if ( mode == CT_FINDAMBI ) return find_ambi(cell, sym, ltl, atl);
if ( mode == CT_UNCENTER ) return uncenter(cell, out_file);
if ( mode == CT_RINGS ) return all_rings(cell, sym, rmax);
- if ( mode == CT_COMPARE ) return comparecells(cell, comparecell, ltl, atl);
+ if ( mode == CT_COMPARE ) return comparecells(cell, comparecell,
+ ltl, atl, csl);
if ( mode == CT_TRANSFORM ) return transform(cell, trans_str, out_file);
if ( mode == CT_CHOICES ) return cell_choices(cell);