XtalOptimizer: Extend test a bit

This commit is contained in:
2026-02-18 22:02:58 +01:00
parent 5cfd8bcc13
commit c6183f2e01
+2 -2
View File
@@ -436,7 +436,7 @@ TEST_CASE("XtalOptimizer_monoclinic") {
.PoniRot2_rad(0.02)
.DetectorDistance_mm(200);
CrystalLattice latt_i(50,60,70,90,110,90);
CrystalLattice latt_i(50,60,70,90,115,90);
auto uc_i = latt_i.GetUnitCell();
@@ -455,7 +455,7 @@ TEST_CASE("XtalOptimizer_monoclinic") {
}
XtalOptimizerData xtal_opt;
xtal_opt.latt = CrystalLattice(49.5, 60.5, 69.8, 90, 110, 90);
xtal_opt.latt = CrystalLattice(49.5, 60.5, 69.8, 90, 113.5, 90);
xtal_opt.geom.BeamX_pxl(1007).BeamY_pxl(990).DetectorDistance_mm(200)
.PoniRot1_rad(0.01).PoniRot2_rad(0.02);
xtal_opt.crystal_system = gemmi::CrystalSystem::Monoclinic;