diff options
| author | Thomas White <taw@physics.org> | 2018-10-25 16:48:36 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2019-03-11 16:49:36 +0100 |
| commit | 4337cafe052c4ad238c969dfa4cb7c7ac52f5e07 (patch) | |
| tree | 5ef5e684565a388c266793db5f965a57467b10e6 /tests/centering_check.c | |
| parent | a9203226058dfd8ba35aa2e192ca51e030d3394a (diff) | |
Use IntegerMatrix for all unit cell transformations
Get rid of UnitCellTransformation, a thin wrapper which didn't do
anything.
Diffstat (limited to 'tests/centering_check.c')
| -rw-r--r-- | tests/centering_check.c | 19 |
1 files changed, 10 insertions, 9 deletions
diff --git a/tests/centering_check.c b/tests/centering_check.c index 887311dd..774af66b 100644 --- a/tests/centering_check.c +++ b/tests/centering_check.c @@ -61,7 +61,7 @@ static int check_centering(double a, double b, double c, { UnitCell *cell, *cref; UnitCell *n; - UnitCellTransformation *t; + IntegerMatrix *t; int fail = 0; int i; double asx, asy, asz; @@ -88,12 +88,17 @@ static int check_centering(double a, double b, double c, check_cell(cell, "Input"); n = uncenter_cell(cell, &t); if ( n != NULL ) { - STATUS("Transformation was:\n"); - tfn_print(t); + STATUS("The back transformation is:\n"); + intmat_print(t); if ( check_cell(n, "Output") ) fail = 1; - if ( !fail ) cell_print(n); + if ( intmat_is_identity(t) && ((cen=='P') || (cen=='R')) ) { + STATUS("Identity, as expected.\n"); + } else { + cell_print(n); + } } else { - fail = 1; + STATUS("************* Could not uncenter.\n"); + return 1; } cell_get_reciprocal(cell, &asx, &asy, &asz, @@ -299,10 +304,6 @@ int main(int argc, char *argv[]) fail += check_centering(20e-10, 20e-10, 40e-10, 90.0, 90.0, 120.0, L_HEXAGONAL, 'H', 'c', rng); - /* Cubic P */ - fail += check_centering(30e-10, 30e-10, 30e-10, 90.0, 90.0, 90.0, - L_CUBIC, 'P', '*', rng); - /* Cubic I */ fail += check_centering(30e-10, 30e-10, 30e-10, 90.0, 90.0, 90.0, L_CUBIC, 'I', '*', rng); |