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[Reactor] Add accessors for full-network Jacobians

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Co-authored-by: Anthony Walker <walkanth@oregonstate.edu>
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
This commit is contained in:
Ray Speth
2026-05-29 08:01:16 -05:00
committed by Ingmar Schoegl
co-authored by Anthony Walker Claude Sonnet 4.6
parent 7e00a54b83
commit 665302b6cb
6 changed files with 141 additions and 28 deletions
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test/zeroD/test_zeroD.cpp
+12 -28
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@@ -468,18 +468,6 @@ TEST(AdaptivePreconditionerTests, test_precon_solver_stats)
EXPECT_GE(stats["nonlinear_conv_fails"].asInt(), 0);
}
static Eigen::SparseMatrix<double> preconditionerJacobian(ReactorNet& network,
shared_ptr<AdaptivePreconditioner> precon)
{
network.setPreconditioner(precon);
network.setLinearSolverType("GMRES");
network.initialize();
vector<double> state(network.neq());
network.getState(state);
network.preconditionerSetup(0.0, state, 0.0);
return precon->jacobian();
}
TEST(AdaptivePreconditionerTests, multi_reactor_valve_pressure_coupling)
{
auto gas = newSolution("h2o2.yaml");
@@ -501,8 +489,7 @@ TEST(AdaptivePreconditionerTests, multi_reactor_valve_pressure_coupling)
vector<shared_ptr<ReactorBase>> reactors{upstream, downstream};
ReactorNet network(reactors);
auto precon = make_shared<AdaptivePreconditioner>();
Eigen::SparseMatrix<double> jac = preconditionerJacobian(network, precon);
Eigen::SparseMatrix<double> jac = network.jacobian();
size_t h2 = downstream->phase()->thermo()->speciesIndex("H2");
size_t row = upstream->neq() + downstream->componentIndex("H2");
@@ -516,7 +503,6 @@ TEST(AdaptivePreconditionerTests, multi_reactor_valve_pressure_coupling)
coeff * dPdT, 1e-10 * std::abs(coeff * dPdT));
EXPECT_NEAR(jac.coeff(row, upstream->componentIndex("volume")),
coeff * dPdV, 1e-10 * std::abs(coeff * dPdV));
EXPECT_EQ(jac.coeff(row, upstream->componentIndex("H2")), 0.0);
}
TEST(AdaptivePreconditionerTests, connector_composition_coupling_flag)
@@ -539,21 +525,10 @@ TEST(AdaptivePreconditionerTests, connector_composition_coupling_flag)
vector<shared_ptr<ReactorBase>> reactors{upstream, downstream};
ReactorNet network(reactors);
auto precon = make_shared<AdaptivePreconditioner>();
Eigen::SparseMatrix<double> sparseJac = preconditionerJacobian(network, precon);
size_t h2 = downstream->phase()->thermo()->speciesIndex("H2");
size_t row = upstream->neq() + downstream->componentIndex("H2");
size_t col = upstream->componentIndex("H2");
EXPECT_EQ(sparseJac.coeff(row, col), 0.0);
AnyMap settings;
settings["skip-connector-composition-dependence"] = false;
network.setDerivativeSettings(settings);
vector<double> state(network.neq());
network.getState(state);
network.preconditionerSetup(0.0, state, 0.0);
Eigen::SparseMatrix<double> fullJac = precon->jacobian();
auto thermo = upstream->phase()->thermo();
auto mw = thermo->molecularWeights();
@@ -561,7 +536,17 @@ TEST(AdaptivePreconditionerTests, connector_composition_coupling_flag)
double dYdn = mw[h2] * (1.0 - Yh2) / upstream->mass();
double expected = downstream->phase()->thermo()->inverseMolecularWeights()[h2]
* mdot * dYdn;
// By default, composition coupling is included
Eigen::SparseMatrix<double> fullJac = network.jacobian();
EXPECT_NEAR(fullJac.coeff(row, col), expected, 1e-10 * std::abs(expected));
// With the skip flag, composition coupling is excluded
AnyMap settings;
settings["skip-connector-composition-dependence"] = true;
network.setDerivativeSettings(settings);
Eigen::SparseMatrix<double> sparseJac = network.jacobian();
EXPECT_EQ(sparseJac.coeff(row, col), 0.0);
}
TEST(AdaptivePreconditionerTests, multi_reactor_wall_coupling)
@@ -587,8 +572,7 @@ TEST(AdaptivePreconditionerTests, multi_reactor_wall_coupling)
vector<shared_ptr<ReactorBase>> reactors{left, right};
ReactorNet network(reactors);
auto precon = make_shared<AdaptivePreconditioner>();
Eigen::SparseMatrix<double> jac = preconditionerJacobian(network, precon);
Eigen::SparseMatrix<double> jac = network.jacobian();
double totalCv = left->mass() * left->phase()->thermo()->cv_mass();
size_t rightTemperature = left->neq() + right->componentIndex("temperature");