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Improve release/versioning of Jungfraujoch repository

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leonarski_f
2024-05-15 11:29:01 +02:00
parent 3693cae440
commit 91fd44bff7
282 changed files with 17363 additions and 27120 deletions
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44
tests/IndexingUnitTest.cpp
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@@ -1,6 +1,6 @@
// Copyright (2019-2023) Paul Scherrer Institute
#include <catch2/catch.hpp>
#include <catch2/catch_all.hpp>
#include "../writer/HDF5Objects.h"
#include "../image_analysis/IndexerWrapper.h"
@@ -8,54 +8,54 @@
TEST_CASE("CrystalLattice") {
CrystalLattice l(make_unit_cell(50,60,80, 90, 90, 90));
REQUIRE(l.Vec0().Length() == Approx(50));
REQUIRE(l.Vec1().Length() == Approx(60));
REQUIRE(l.Vec2().Length() == Approx(80));
REQUIRE(l.Vec0().Length() == Catch::Approx(50));
REQUIRE(l.Vec1().Length() == Catch::Approx(60));
REQUIRE(l.Vec2().Length() == Catch::Approx(80));
REQUIRE(angle_deg(l.Vec0(), l.Vec2()) == 90);
REQUIRE(angle_deg(l.Vec0(), l.Vec1()) == 90);
REQUIRE(angle_deg(l.Vec1(), l.Vec2()) == 90);
l = CrystalLattice(make_unit_cell(30, 40, 70, 90, 95, 90));
REQUIRE(l.Vec0().Length() == Approx(30));
REQUIRE(l.Vec1().Length() == Approx(40));
REQUIRE(l.Vec2().Length() == Approx(70));
REQUIRE(l.Vec0().Length() == Catch::Approx(30));
REQUIRE(l.Vec1().Length() == Catch::Approx(40));
REQUIRE(l.Vec2().Length() == Catch::Approx(70));
REQUIRE(angle_deg(l.Vec0(), l.Vec2()) == 95);
REQUIRE(angle_deg(l.Vec0(), l.Vec1()) == 90);
REQUIRE(angle_deg(l.Vec1(), l.Vec2()) == 90);
l = CrystalLattice(make_unit_cell(45, 45, 70, 90, 90, 120));
REQUIRE(l.Vec0().Length() == Approx(45));
REQUIRE(l.Vec1().Length() == Approx(45));
REQUIRE(l.Vec2().Length() == Approx(70));
REQUIRE(angle_deg(l.Vec0(), l.Vec2()) == Approx(90));
REQUIRE(angle_deg(l.Vec0(), l.Vec1()) == Approx(120));
REQUIRE(angle_deg(l.Vec1(), l.Vec2()) == Approx(90));
REQUIRE(l.Vec0().Length() == Catch::Approx(45));
REQUIRE(l.Vec1().Length() == Catch::Approx(45));
REQUIRE(l.Vec2().Length() == Catch::Approx(70));
REQUIRE(angle_deg(l.Vec0(), l.Vec2()) == Catch::Approx(90));
REQUIRE(angle_deg(l.Vec0(), l.Vec1()) == Catch::Approx(120));
REQUIRE(angle_deg(l.Vec1(), l.Vec2()) == Catch::Approx(90));
}
TEST_CASE("CrystalLattice_ReciprocalLattice") {
CrystalLattice l(make_unit_cell(50,60,80, 78, 80, 120));
CrystalLattice rl = l.ReciprocalLattice();
REQUIRE(l.Vec0() * rl.Vec0() == Approx(1.0));
REQUIRE(l.Vec0() * rl.Vec0() == Catch::Approx(1.0));
REQUIRE(l.Vec0() * rl.Vec1() < 1e-5);
REQUIRE(l.Vec0() * rl.Vec2() < 1e-5);
REQUIRE(l.Vec1() * rl.Vec0() < 1e-5);
REQUIRE(l.Vec1() * rl.Vec1() == Approx(1.0));
REQUIRE(l.Vec1() * rl.Vec1() == Catch::Approx(1.0));
REQUIRE(l.Vec1() * rl.Vec2() < 1e-5);
REQUIRE(l.Vec2() * rl.Vec0() < 1e-5);
REQUIRE(l.Vec2() * rl.Vec1() < 1e-5);
REQUIRE(l.Vec2() * rl.Vec2() == Approx(1.0));
REQUIRE(l.Vec2() * rl.Vec2() == Catch::Approx(1.0));
}
TEST_CASE("CrystalLattice_EigenMatrix") {
CrystalLattice l1(make_unit_cell(50,60,80, 78, 80, 120));
auto m = l1.GetEigenMatrix();
CrystalLattice l2(m);
REQUIRE(l2.Vec0().x == Approx(l1.Vec0().x));
REQUIRE(l2.Vec1().y == Approx(l1.Vec1().y));
REQUIRE(l2.Vec2().x == Approx(l1.Vec2().x));
REQUIRE(l2.Vec0().x == Catch::Approx(l1.Vec0().x));
REQUIRE(l2.Vec1().y == Catch::Approx(l1.Vec1().y));
REQUIRE(l2.Vec2().x == Catch::Approx(l1.Vec2().x));
}
inline double round_err(double x) {
@@ -90,9 +90,9 @@ TEST_CASE("FastFeedbackIndexer","[Indexing]") {
REQUIRE(!ret.empty());
//auto uc = ret[0].GetUnitCell();
//REQUIRE(c.a == Approx(uc.a));
//REQUIRE(c.b == Approx(uc.b));
//REQUIRE(c.c == Approx(uc.c));
//REQUIRE(c.a == Catch::Approx(uc.a));
//REQUIRE(c.b == Catch::Approx(uc.b));
//REQUIRE(c.c == Catch::Approx(uc.c));
double err[3] = {0.0, 0.0, 0.0};
for (const auto &iter: recip) {