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v1.0.0-rc.50

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leonarski_f
2025-06-20 09:52:26 +02:00
parent 2bd9f4a424
commit 0d1b388f4d
197 changed files with 916 additions and 504 deletions
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tests/DiffractionGeometryTest.cpp
+7 -7
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@@ -157,20 +157,20 @@ TEST_CASE("DiffractionGeometry_AngleFromEwaldSphere") {
// Center of Ewald sphere == (0,0,-1)
// Points on Ewald sphere
REQUIRE(geom.AngleFromEwaldSphere(Coord(1,0,-1)) == 0.0f);
REQUIRE(geom.AngleFromEwaldSphere(Coord(1.0f/sqrtf(2.0f),1.0f/sqrtf(2.0f),-1)) == 0.0f);
REQUIRE(geom.AngleFromEwaldSphere_deg(Coord(1, 0, -1)) == 0.0f);
REQUIRE(geom.AngleFromEwaldSphere_deg(Coord(1.0f / sqrtf(2.0f), 1.0f / sqrtf(2.0f), -1)) == 0.0f);
REQUIRE(geom.AngleFromEwaldSphere(Coord(1,0,1)) == Catch::Approx(90.0f));
REQUIRE(geom.AngleFromEwaldSphere(Coord(-sqrtf(2.0f),0,0)) == Catch::Approx(45.0f));
REQUIRE(geom.AngleFromEwaldSphere(Coord(-sqrtf(3.0f),0,0)) == Catch::Approx(60.0f));
REQUIRE(geom.AngleFromEwaldSphere_deg(Coord(1, 0, 1)) == Catch::Approx(90.0f));
REQUIRE(geom.AngleFromEwaldSphere_deg(Coord(-sqrtf(2.0f), 0, 0)) == Catch::Approx(45.0f));
REQUIRE(geom.AngleFromEwaldSphere_deg(Coord(-sqrtf(3.0f), 0, 0)) == Catch::Approx(60.0f));
float cos_1deg = cosf(1.0f * M_PI / 180.0f);
float sin_1deg = sinf(1.0f * M_PI / 180.0f);
REQUIRE(fabsf(geom.AngleFromEwaldSphere((Coord(cos_1deg - sin_1deg, 0, -(cos_1deg + sin_1deg)))) - 1.0f) < 0.0005);
REQUIRE(fabsf(geom.AngleFromEwaldSphere_deg((Coord(cos_1deg - sin_1deg, 0, -(cos_1deg + sin_1deg)))) - 1.0f) < 0.0005);
// Cannot be rotated to fit into the Ewald sphere
REQUIRE(isnanf(geom.AngleFromEwaldSphere(Coord(0,0,1))));
REQUIRE(isnanf(geom.AngleFromEwaldSphere_deg(Coord(0, 0, 1))));
}
TEST_CASE("DiffractionGeometry_DirectBeam") {