diff options
| author | Thomas White <taw@physics.org> | 2019-03-06 11:40:37 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2019-03-11 16:49:37 +0100 |
| commit | 4f11a9f8530178cfb510f11c7bc4b1829bbd0be4 (patch) | |
| tree | ce4e620e54773e0f17fb653ccfe21f0490e3e373 /tests/centering_check.c | |
| parent | 68061d0e3c42f61fa7664e0f0996cade13057391 (diff) | |
Keep track of the "un-centering" matrix, as well as the "centering"
This makes it easy to reverse the transformation, if required, which it
is when comparing centered cells.
Diffstat (limited to 'tests/centering_check.c')
| -rw-r--r-- | tests/centering_check.c | 9 |
1 files changed, 5 insertions, 4 deletions
diff --git a/tests/centering_check.c b/tests/centering_check.c index 774af66b..cc553dd0 100644 --- a/tests/centering_check.c +++ b/tests/centering_check.c @@ -61,7 +61,8 @@ static int check_centering(double a, double b, double c, { UnitCell *cell, *cref; UnitCell *n; - IntegerMatrix *t; + IntegerMatrix *C; + RationalMatrix *Ci; int fail = 0; int i; double asx, asy, asz; @@ -86,12 +87,12 @@ static int check_centering(double a, double b, double c, cell_free(cref); check_cell(cell, "Input"); - n = uncenter_cell(cell, &t); + n = uncenter_cell(cell, &C, &Ci); if ( n != NULL ) { STATUS("The back transformation is:\n"); - intmat_print(t); + intmat_print(C); if ( check_cell(n, "Output") ) fail = 1; - if ( intmat_is_identity(t) && ((cen=='P') || (cen=='R')) ) { + if ( intmat_is_identity(C) && ((cen=='P') || (cen=='R')) ) { STATUS("Identity, as expected.\n"); } else { cell_print(n); |