Fix sign check in FD Jacobian pattern test and adjust tolerances accordingly

Co-authored-by: Jan Breuer <[email protected]>

Author: ronald-jaepel

test/Crystallization.cpp

@@ -166,8 +166,9 @@ TEST_CASE("Crystallization Jacobian verification for a DPFR/LRM with primary and
 	pp_setup.pushScope("model");
 	pp_setup.pushScope("unit_001");
 
-	// for this specific test, we need to define a (high) absolute tolerance as the values in this test are numerically very challenging (values of ca. 1E+24)
+	// for this specific test, we need to define a (high) tolerances as the values in this test are numerically very challenging (values of ca. 1E+24)
 	const double ADabsTol = 2e+7;
+	const double FDabsTol = 5e+7;
 
-	cadet::test::column::testJacobianAD(pp_setup, std::numeric_limits<float>::epsilon() * 100.0, ADabsTol);
+	cadet::test::column::testJacobianAD(pp_setup, FDabsTol, ADabsTol);
 }

test/GeneralRateModelDG.cpp

@@ -265,7 +265,7 @@ TEST_CASE("GRM_DG linear binding single particle matches particle distribution",
 
 TEST_CASE("GRM_DG multiple particle types Jacobian analytic vs AD", "[GRM],[DG],[DG1D],[Jacobian],[AD],[ParticleType],[CI]")
 {
-	cadet::test::particle::testJacobianMixedParticleTypes("GENERAL_RATE_MODEL", "DG");
+	cadet::test::particle::testJacobianMixedParticleTypes("GENERAL_RATE_MODEL", "DG", 1e-14);
 }
 
 TEST_CASE("GRM_DG multiple particle types time derivative Jacobian vs FD", "[GRM],[DG],[DG1D],[UnitOp],[Residual],[Jacobian],[ParticleType],[CI]")
@@ -285,27 +285,27 @@ TEST_CASE("GRM_DG linear binding single particle matches spatially dependent par
 
 TEST_CASE("GRM_DG dynamic reactions Jacobian vs AD bulk", "[GRM],[DG],[DG1D],[Jacobian],[AD],[ReactionModel],[CI]")
 {
-	cadet::test::reaction::testUnitJacobianDynamicReactionsAD("GENERAL_RATE_MODEL", "DG", true, false, false);
+	cadet::test::reaction::testUnitJacobianDynamicReactionsAD("GENERAL_RATE_MODEL", "DG", true, false, false, 1e-14);
 }
 
 TEST_CASE("GRM_DG dynamic reactions Jacobian vs AD particle", "[GRM],[DG],[DG1D],[Jacobian],[AD],[ReactionModel],[CI]")
 {
-	cadet::test::reaction::testUnitJacobianDynamicReactionsAD("GENERAL_RATE_MODEL", "DG", false, true, false);
+	cadet::test::reaction::testUnitJacobianDynamicReactionsAD("GENERAL_RATE_MODEL", "DG", false, true, false, 1e-14);
 }
 
 TEST_CASE("GRM_DG dynamic reactions Jacobian vs AD modified particle", "[GRM],[DG],[DG1D],[Jacobian],[AD],[ReactionModel],[CI]")
 {
-	cadet::test::reaction::testUnitJacobianDynamicReactionsAD("GENERAL_RATE_MODEL", "DG", false, true, true);
+	cadet::test::reaction::testUnitJacobianDynamicReactionsAD("GENERAL_RATE_MODEL", "DG", false, true, true, 1e-14);
 }
 
 TEST_CASE("GRM_DG dynamic reactions Jacobian vs AD bulk and particle", "[GRM],[DG],[DG1D],[Jacobian],[AD],[ReactionModel],[CI]")
 {
-	cadet::test::reaction::testUnitJacobianDynamicReactionsAD("GENERAL_RATE_MODEL", "DG", true, true, false);
+	cadet::test::reaction::testUnitJacobianDynamicReactionsAD("GENERAL_RATE_MODEL", "DG", true, true, false, 1e-14);
 }
 
 TEST_CASE("GRM_DG dynamic reactions Jacobian vs AD bulk and modified particle", "[GRM],[DG],[DG1D],[Jacobian],[AD],[ReactionModel],[CI]")
 {
-	cadet::test::reaction::testUnitJacobianDynamicReactionsAD("GENERAL_RATE_MODEL", "DG", true, true, true);
+	cadet::test::reaction::testUnitJacobianDynamicReactionsAD("GENERAL_RATE_MODEL", "DG", true, true, true, 1e-14);
 }
 
 TEST_CASE("GRM_DG dynamic reactions time derivative Jacobian vs FD bulk", "[GRM],[DG],[DG1D],[Jacobian],[Residual],[ReactionModel],[CI],[FD]")

test/JacobianHelper.hpp

@@ -409,8 +409,9 @@ inline void checkJacobianPatternFD(const std::function<void(double const*, doubl
 			CAPTURE(col);
 			CAPTURE(colA[row]);
 			CAPTURE(colB[row]);
-			if (std::abs(colA[row]) <= absTol)
-				CHECK(std::abs(colA[row]) <= absTol);
+
+			if (std::abs(colA[row]) <= absTol) // allow different signs, if both entries are near zero
+				CHECK(std::abs(colB[row]) <= absTol);
 			else if (std::isnan(colA[row]))
 				CHECK(std::isnan(colB[row]));
 			else