choose more realistic margins for the single precision test cases

spirit-code · Sep 12, 2024 · ee2e68f · ee2e68f
1 parent c4ab1e4
commit ee2e68f
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Showing 3 changed files with 11 additions and 8 deletions.
diff --git a/core/test/test_anisotropy.cpp b/core/test/test_anisotropy.cpp
@@ -33,11 +33,11 @@
 #endif
 
 #ifdef SPIRIT_SCALAR_TYPE_DOUBLE
-[[maybe_unused]] constexpr scalar epsilon_2 = 1e-10;
-[[maybe_unused]] constexpr scalar epsilon_3 = 1e-12;
-[[maybe_unused]] constexpr scalar epsilon_4 = 1e-12;
-[[maybe_unused]] constexpr scalar epsilon_5 = 1e-6;
-[[maybe_unused]] constexpr scalar epsilon_6 = 1e-7;
+[[maybe_unused]] constexpr scalar epsilon_2 = 1e-5;
+[[maybe_unused]] constexpr scalar epsilon_3 = 1e-6;
+[[maybe_unused]] constexpr scalar epsilon_4 = 1e-7;
+[[maybe_unused]] constexpr scalar epsilon_5 = 1e-8;
+[[maybe_unused]] constexpr scalar epsilon_6 = 1e-9;
 #else
 [[maybe_unused]] constexpr scalar epsilon_2 = 1e-2;
 [[maybe_unused]] constexpr scalar epsilon_3 = 1e-3;
@@ -313,6 +313,8 @@ TEST_CASE( "Biaxial anisotropy", "[anisotropy]" )
 
     SECTION( "Engine: Check results of the energy calculations" )
     {
+        using std::sin, std::cos;
+
         const auto test = [&state, &interaction,
                            &term_info]( const int idx, const scalar theta, const scalar phi, const auto &... terms )
         {
@@ -348,7 +350,8 @@ TEST_CASE( "Biaxial anisotropy", "[anisotropy]" )
             INFO( "Total Energy:" )
             INFO( "trial: " << idx << ", theta=" << theta << ", phi=" << phi );
             INFO( term_info( terms... ) );
-            REQUIRE_THAT( interaction->Energy( spins ), WithinAbs( state->nos * ref_energy, epsilon_5 ) );
+            REQUIRE_THAT(
+                interaction->Energy( spins ) / static_cast<scalar>( state->nos ), WithinAbs( ref_energy, epsilon_3 ) );
 
             vectorfield gradient( state->nos, Vector3::Zero() );
             interaction->Gradient( spins, gradient );

diff --git a/core/test/test_manifoldmath.cpp b/core/test/test_manifoldmath.cpp
@@ -75,7 +75,7 @@ TEST_CASE( "Manifold operations", "[manifold]" )
         scalar proj_prev = Engine::Vectormath::dot( v1, v3 );
         REQUIRE_THAT( Engine::Vectormath::dot( v1, v3 ), WithinAbs( proj_prev, 1e-12 ) );
         Engine::Manifoldmath::invert_orthogonal( v1, v2 );
-        REQUIRE_THAT( Engine::Vectormath::dot( v1, v3 ), WithinAbs( -proj_prev, epsilon_6 ) );
+        REQUIRE_THAT( Engine::Vectormath::dot( v1, v3 ), WithinAbs( -proj_prev, epsilon_5 ) );
     }
 
     SECTION( "Projection: tangetial" )

diff --git a/core/test/test_physics.cpp b/core/test/test_physics.cpp
@@ -291,7 +291,7 @@ TEST_CASE( "Dipole-Dipole Interaction", "[physics]" )
             INFO( "i = " << i << ", epsilon = " << epsilon_2 << "\n" );
             INFO( "Gradient (FD) = " << grad_fft_fd[i].transpose() << "\n" );
             INFO( "Gradient      = " << grad_fft[i].transpose() << "\n" );
-            REQUIRE( grad_fft_fd[i].isApprox( grad_fft[i], epsilon_2 ) );
+            REQUIRE_THAT( ( grad_fft_fd[i] - grad_fft[i] ).norm(), WithinAbs( 0, epsilon_2 ) );
         }
     }
     // Direct (cutoff) gradient and energy