jfjoch_test: Set max optimization time to 30 seconds (given tests run on slow, shared machine, it doesn't make sense to time these tests, just need to know it actually works)
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@@ -32,6 +32,7 @@ TEST_CASE("XtalOptimizer") {
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}
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XtalOptimizerData xtal_opt{};
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xtal_opt.max_time = 30.0;
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xtal_opt.latt = CrystalLattice(40.2,39.4,80.2, 90,91, 89);
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xtal_opt.geom.BeamX_pxl(1010).BeamY_pxl(995).DetectorDistance_mm(200)
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.PoniRot1_rad(0.01).PoniRot2_rad(0.02);
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@@ -90,6 +91,7 @@ TEST_CASE("XtalOptimizer_NoBeamCenter") {
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.PoniRot1_rad(0.01).PoniRot2_rad(0.02);
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xtal_opt.crystal_system = gemmi::CrystalSystem::Monoclinic;
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xtal_opt.refine_beam_center = false;
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xtal_opt.max_time = 30.0;
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auto start = std::chrono::high_resolution_clock::now();
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REQUIRE(XtalOptimizer(xtal_opt, spots));
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@@ -140,6 +142,7 @@ TEST_CASE("XtalOptimizer_orthorombic") {
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xtal_opt.latt = CrystalLattice(40.2,49.6,80.3, 90,91, 89);
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xtal_opt.geom.BeamX_pxl(1005).BeamY_pxl(997).DetectorDistance_mm(200)
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.PoniRot1_rad(0.01).PoniRot2_rad(0.02);
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xtal_opt.max_time = 30.0;
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xtal_opt.crystal_system = gemmi::CrystalSystem::Orthorhombic;
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auto start = std::chrono::high_resolution_clock::now();
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REQUIRE(XtalOptimizer(xtal_opt, spots));
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@@ -192,7 +195,7 @@ TEST_CASE("XtalOptimizer_triclinic") {
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xtal_opt.geom.BeamX_pxl(997).BeamY_pxl(1005).DetectorDistance_mm(200)
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.PoniRot1_rad(0.01).PoniRot2_rad(0.02);
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xtal_opt.crystal_system = gemmi::CrystalSystem::Triclinic;
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xtal_opt.max_time = 1.0;
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xtal_opt.max_time = 36.0;
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auto start = std::chrono::high_resolution_clock::now();
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REQUIRE(XtalOptimizer(xtal_opt, spots));
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auto end = std::chrono::high_resolution_clock::now();
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@@ -245,6 +248,7 @@ TEST_CASE("XtalOptimizer_tetragonal") {
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xtal_opt.geom.BeamX_pxl(1010).BeamY_pxl(995).DetectorDistance_mm(200)
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.PoniRot1_rad(0.01).PoniRot2_rad(0.02);
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xtal_opt.crystal_system = gemmi::CrystalSystem::Tetragonal;
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xtal_opt.max_time = 30.0;
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auto start = std::chrono::high_resolution_clock::now();
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REQUIRE(XtalOptimizer(xtal_opt, spots));
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auto end = std::chrono::high_resolution_clock::now();
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@@ -296,6 +300,7 @@ TEST_CASE("XtalOptimizer_hexagonal") {
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xtal_opt.geom.BeamX_pxl(1007).BeamY_pxl(990).DetectorDistance_mm(200)
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.PoniRot1_rad(0.01).PoniRot2_rad(0.02);
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xtal_opt.crystal_system = gemmi::CrystalSystem::Hexagonal;
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xtal_opt.max_time = 30.0;
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auto start = std::chrono::high_resolution_clock::now();
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REQUIRE(XtalOptimizer(xtal_opt, spots));
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auto end = std::chrono::high_resolution_clock::now();
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@@ -349,6 +354,7 @@ TEST_CASE("XtalOptimizer_hexagonal_unconstrained") {
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xtal_opt.geom.BeamX_pxl(1002).BeamY_pxl(998).DetectorDistance_mm(200)
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.PoniRot1_rad(0.01).PoniRot2_rad(0.02);
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xtal_opt.crystal_system = gemmi::CrystalSystem::Triclinic;
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xtal_opt.max_time = 30.0;
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auto start = std::chrono::high_resolution_clock::now();
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REQUIRE(XtalOptimizer(xtal_opt, spots));
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auto end = std::chrono::high_resolution_clock::now();
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@@ -407,6 +413,7 @@ TEST_CASE("XtalOptimizer_cubic") {
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xtal_opt.geom.BeamX_pxl(1007).BeamY_pxl(990).DetectorDistance_mm(200)
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.PoniRot1_rad(0.01).PoniRot2_rad(0.02);
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xtal_opt.crystal_system = gemmi::CrystalSystem::Cubic;
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xtal_opt.max_time = 30.0;
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auto start = std::chrono::high_resolution_clock::now();
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REQUIRE(XtalOptimizer(xtal_opt, spots));
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auto end = std::chrono::high_resolution_clock::now();
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@@ -460,6 +467,7 @@ TEST_CASE("XtalOptimizer_monoclinic") {
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xtal_opt.geom.BeamX_pxl(1007).BeamY_pxl(990).DetectorDistance_mm(200)
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.PoniRot1_rad(0.01).PoniRot2_rad(0.02);
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xtal_opt.crystal_system = gemmi::CrystalSystem::Monoclinic;
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xtal_opt.max_time = 30.0;
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auto start = std::chrono::high_resolution_clock::now();
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REQUIRE(XtalOptimizer(xtal_opt, spots));
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auto end = std::chrono::high_resolution_clock::now();
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@@ -606,6 +614,7 @@ TEST_CASE("XtalOptimizer_rotation") {
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xtal_opt.refine_beam_center = true;
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xtal_opt.refine_distance_mm = true;
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xtal_opt.refine_detector_angles = false;
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xtal_opt.max_time = 30.0;
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auto t0 = std::chrono::high_resolution_clock::now();
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REQUIRE(XtalOptimizer(xtal_opt, spots));
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@@ -693,6 +702,7 @@ TEST_CASE("XtalOptimizer_refine_rotation_axis") {
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xtal_opt.refine_distance_mm = false;
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xtal_opt.refine_detector_angles = false;
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xtal_opt.refine_rotation_axis = true;
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xtal_opt.max_time = 30.0;
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auto t0 = std::chrono::high_resolution_clock::now();
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REQUIRE(XtalOptimizer(xtal_opt, spots));
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