diff options
| author | Thomas White <taw@physics.org> | 2019-08-21 12:23:39 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2019-08-22 17:03:28 +0200 |
| commit | 0b1db945a12c0e68491412baf322b761511eb016 (patch) | |
| tree | c725147e0e1a68814c2eb24754847c2181402064 /src | |
| parent | 5ab96056a6d1972a248abb154ea5df0ffda44d06 (diff) | |
Tidy up comparison function definitions
Especially, remove the last ltl/atl tolerance values.
Diffstat (limited to 'src')
| -rw-r--r-- | src/cell_tool.c | 2 | ||||
| -rw-r--r-- | src/whirligig.c | 8 |
2 files changed, 7 insertions, 3 deletions
diff --git a/src/cell_tool.c b/src/cell_tool.c index a1755f42..0942ca15 100644 --- a/src/cell_tool.c +++ b/src/cell_tool.c @@ -99,7 +99,7 @@ static int comparecells(UnitCell *cell, const char *comparecell, tolerance[5] = atl; STATUS("------------------> The comparison results:\n"); - if ( !compare_reindexed_cell_parameters(cell, cell2, tolerance, csl, &m) ) { + if ( !compare_derivative_cell_parameters(cell, cell2, tolerance, csl, &m) ) { STATUS("No relationship found between lattices.\n"); return 0; } else { diff --git a/src/whirligig.c b/src/whirligig.c index a144e769..fd94a0f2 100644 --- a/src/whirligig.c +++ b/src/whirligig.c @@ -297,6 +297,8 @@ static IntegerMatrix *try_all(struct window *win, int n1, int n2, IntegerMatrix *m; struct image *i1; struct image *i2; + const double tols[] = {0.1, 0.1, 0.1, + deg2rad(5.0), deg2rad(5.0), deg2rad(5.0)}; assert(n1 >= 0); assert(n2 >= 0); @@ -311,7 +313,7 @@ static IntegerMatrix *try_all(struct window *win, int n1, int n2, if ( compare_permuted_cell_parameters_and_orientation(crystal_get_cell(i1->crystals[i]), crystal_get_cell(i2->crystals[j]), - 0.1, deg2rad(5.0), &m) ) + tols, &m) ) { if ( !crystal_used(win, n1, i) && !crystal_used(win, n2, j) ) @@ -365,6 +367,8 @@ static int try_join(struct window *win, int sn) Crystal *cr; UnitCell *ref; const int sp = win->join_ptr - 1; + const double tols[] = {0.1, 0.1, 0.1, + deg2rad(5.0), deg2rad(5.0), deg2rad(5.0)}; /* Get the appropriately transformed cell from the last crystal in this * series */ @@ -375,7 +379,7 @@ static int try_join(struct window *win, int sn) Crystal *cr2; cr2 = win->img[win->join_ptr].crystals[j]; if ( compare_permuted_cell_parameters_and_orientation(ref, crystal_get_cell(cr2), - 0.1, deg2rad(5.0), + tols, &win->mat[sn][win->join_ptr]) ) { win->ser[sn][win->join_ptr] = j; |