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Commit 3e2fae83 authored by Van Herck, Walter's avatar Van Herck, Walter
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Use Lattice static methods in LatticeUtils and adapt unittest

parent b8dedd27
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...@@ -22,7 +22,6 @@ Lattice LatticeUtils::CreateFCCLattice(double lattice_constant, ...@@ -22,7 +22,6 @@ Lattice LatticeUtils::CreateFCCLattice(double lattice_constant,
std::unique_ptr<ILatticeOrientation> P_orientation(orientation.clone()); std::unique_ptr<ILatticeOrientation> P_orientation(orientation.clone());
P_orientation->usePrimitiveLattice(prim_cubic); P_orientation->usePrimitiveLattice(prim_cubic);
auto rotation = P_orientation->transformationMatrix(); auto rotation = P_orientation->transformationMatrix();
double a = lattice_constant/2.0; Lattice fcc = Lattice::createFCCLattice(lattice_constant);
Lattice fcc( {a, a, 0.0}, {0.0, a, a}, {a, 0.0, a} );
return fcc.createTransformedLattice(rotation); return fcc.createTransformedLattice(rotation);
} }
...@@ -20,9 +20,9 @@ TEST_F(LatticeUtilsTest, cubeAlignedFCCTest) ...@@ -20,9 +20,9 @@ TEST_F(LatticeUtilsTest, cubeAlignedFCCTest)
auto a2 = lattice.getBasisVectorB(); auto a2 = lattice.getBasisVectorB();
auto a3 = lattice.getBasisVectorC(); auto a3 = lattice.getBasisVectorC();
kvector_t v1 { 1.0, 1.0, 0.0 }; kvector_t v1 { 0.0, 1.0, 1.0 };
kvector_t v2 { 0.0, 1.0, 1.0 }; kvector_t v2 { 1.0, 0.0, 1.0 };
kvector_t v3 { 1.0, 0.0, 1.0 }; kvector_t v3 { 1.0, 1.0, 0.0 };
EXPECT_EQ(a1, v1); EXPECT_EQ(a1, v1);
EXPECT_EQ(a2, v2); EXPECT_EQ(a2, v2);
...@@ -39,12 +39,8 @@ TEST_F(LatticeUtilsTest, diagonalAlignedFCCTest) ...@@ -39,12 +39,8 @@ TEST_F(LatticeUtilsTest, diagonalAlignedFCCTest)
auto a2 = lattice.getBasisVectorB(); auto a2 = lattice.getBasisVectorB();
auto a3 = lattice.getBasisVectorC(); auto a3 = lattice.getBasisVectorC();
kvector_t v1 { 1.0, 1.0, 0.0 };
kvector_t v2 { 0.0, 1.0, 1.0 };
kvector_t v3 { 1.0, 0.0, 1.0 };
EXPECT_EQ(a1.z(), a2.z()); EXPECT_EQ(a1.z(), a2.z());
EXPECT_EQ(a2.z(), a3.z()); EXPECT_EQ(a2.z(), a3.z());
EXPECT_EQ(a2.x(), a3.x()); EXPECT_EQ(a1.x(), a2.x());
EXPECT_EQ(a2.y(), -a3.y()); EXPECT_EQ(a1.y(), -a2.y());
} }
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