throwing error on mismatched size (#610)

* throwing error on mismatched size

* using a copy of the paramteres so that a builder can be repeatedly used

* adding const

* correcting number of tolerances for robertson

include/micm/solver/solver_builder.hpp

@@ -88,12 +88,12 @@ namespace micm
 
  /// @brief Creates an instance of Solver with a properly configured ODE solver
  /// @return An instance of Solver
- auto Build();
+ auto Build() const;
 
  protected:
  /// @brief Checks for unused species
  /// @throws std::system_error if an unused species is found
- void UnusedSpeciesCheck();
+ void UnusedSpeciesCheck() const;
 
  /// @brief Gets a map of species to their index
  /// @return The species map

include/micm/solver/solver_builder.inl

@@ -6,7 +6,8 @@ enum class MicmSolverBuilderErrc
  UnusedSpecies = 1, // Unused species present in the chemical system
  MissingChemicalSystem = 2, // Missing chemical system
  MissingReactions = 3, // Missing processes
- MissingChemicalSpecies = 4 // Missing chemical species
+ MissingChemicalSpecies = 4, // Missing chemical species
+ InvalidToleranceSize = 5 // Invalid tolerance size
 };
 
 namespace std
@@ -37,7 +38,10 @@ namespace
  return "Missing chemical system. Use the SetSystem function to set the chemical system.";
  case MicmSolverBuilderErrc::MissingReactions:
  return "Missing reactions. Use the SetReactions function to set the processes.";
- case MicmSolverBuilderErrc::MissingChemicalSpecies: return "Provided chemical system contains no species.";
+ case MicmSolverBuilderErrc::MissingChemicalSpecies:
+ return "Provided chemical system contains no species.";
+ case MicmSolverBuilderErrc::InvalidToleranceSize:
+ return "Provided tolerances do not match the number of species in the chemical system. Either provide none and allow defaults to be set or pass in a number equal to the number of chemical species.";
  default: return "Unknown error";
  }
  }
@@ -198,7 +202,7 @@ namespace micm
  SparseMatrixPolicy,
  RatesPolicy,
  LinearSolverPolicy,
- StatePolicy>::UnusedSpeciesCheck()
+ StatePolicy>::UnusedSpeciesCheck() const
  {
  if (ignore_unused_species_)
  {
@@ -285,6 +289,12 @@ namespace micm
  StatePolicy>::
  SetAbsoluteTolerances(std::vector<double>& tolerances, const std::map<std::string, std::size_t>& species_map) const
  {
+ if (tolerances.size() > 0 && tolerances.size() != species_map.size())
+ {
+ throw std::system_error(
+ make_error_code(MicmSolverBuilderErrc::InvalidToleranceSize),
+ "Invalid absolute tolerance vector size");
+ }
  // if the tolerances aren't already set, initialize them and then set based off of information in the system
  if (tolerances.size() != species_map.size())
  {
@@ -345,8 +355,12 @@ namespace micm
  SparseMatrixPolicy,
  RatesPolicy,
  LinearSolverPolicy,
- StatePolicy>::Build()
+ StatePolicy>::Build() const
  {
+ // make a copy of the options so that the builder can be used repeatedly
+ // this matters because the absolute tolerances must be set to match the system size, and that may change
+ auto options = this->options_;
+
  if (!valid_system_)
  {
  throw std::system_error(make_error_code(MicmSolverBuilderErrc::MissingChemicalSystem), "Missing chemical system.");
@@ -366,7 +380,7 @@ namespace micm
  }
 
  this->UnusedSpeciesCheck();
- this->SetAbsoluteTolerances(this->options_.absolute_tolerance_, species_map);
+ this->SetAbsoluteTolerances(options.absolute_tolerance_, species_map);
 
  RatesPolicy rates(this->reactions_, species_map);
  auto nonzero_elements = rates.NonZeroJacobianElements();
@@ -387,7 +401,7 @@ namespace micm
  .nonzero_jacobian_elements_ = nonzero_elements };
 
  return Solver<SolverPolicy, StatePolicy>(
- SolverPolicy(this->options_, std::move(linear_solver), std::move(rates), jacobian),
+ SolverPolicy(options, std::move(linear_solver), std::move(rates), jacobian),
  state_parameters,
  this->number_of_grid_cells_,
  number_of_species,

test/integration/cuda/test_cuda_analytical_rosenbrock.cpp

@@ -147,7 +147,7 @@ TEST(AnalyticalExamplesCudaRosenbrock, Robertson)
  auto rosenbrock_solver = [](auto params)
  {
  params.relative_tolerance_ = 1e-10;
- params.absolute_tolerance_ = std::vector<double>(5, params.relative_tolerance_ * 1e-2);
+ params.absolute_tolerance_ = std::vector<double>(3, params.relative_tolerance_ * 1e-2);
  return builderType1Cell(params);
  };
 

test/integration/jit/test_jit_analytical_rosenbrock.cpp

@@ -150,7 +150,7 @@ TEST(AnalyticalExamplesJitRosenbrock, Robertson)
  auto rosenbrock_solver = [](auto params)
  {
  params.relative_tolerance_ = 1e-10;
- params.absolute_tolerance_ = std::vector<double>(5, params.relative_tolerance_ * 1e-2);
+ params.absolute_tolerance_ = std::vector<double>(3, params.relative_tolerance_ * 1e-2);
  return BuilderType<1>(params);
  };
 

test/integration/test_analytical_rosenbrock.cpp

@@ -199,7 +199,7 @@ TEST(AnalyticalExamples, Robertson)
  auto rosenbrock_solver = [](auto params)
  {
  params.relative_tolerance_ = 1e-10;
- params.absolute_tolerance_ = std::vector<double>(5, params.relative_tolerance_ * 1e-2);
+ params.absolute_tolerance_ = std::vector<double>(3, params.relative_tolerance_ * 1e-2);
  return BuilderType(params);
  };
 

test/unit/cuda/solver/test_cuda_solver_builder.cpp

@@ -47,4 +47,32 @@ TEST(SolverBuilder, CanBuildCudaSolvers)
  .SetReactions(reactions)
  .SetNumberOfGridCells(L)
  .Build();
+}
+
+TEST(SolverBuilder, MismatchedToleranceSizeIsCaught)
+{
+ auto params = micm::RosenbrockSolverParameters::ThreeStageRosenbrockParameters();
+ // too many
+ params.absolute_tolerance_ = { 1e-6, 1e-6, 1e-6, 1e-6, 1e-6 };
+
+ constexpr std::size_t L = 4;
+ using cuda_builder = micm::CudaSolverBuilder<micm::CudaRosenbrockSolverParameters, L>;
+
+ EXPECT_ANY_THROW(
+ cuda_builder(params)
+ .SetSystem(the_system)
+ .SetReactions(reactions)
+ .SetNumberOfGridCells(L)
+ .Build();
+ );
+
+ // too few
+ params.absolute_tolerance_ = { 1e-6, 1e-6 };
+ EXPECT_ANY_THROW(
+ cuda_builder(params)
+ .SetSystem(the_system)
+ .SetReactions(reactions)
+ .SetNumberOfGridCells(L)
+ .Build();
+ );
 }

test/unit/jit/solver/test_jit_solver_builder.cpp

@@ -47,4 +47,32 @@ TEST(SolverBuilder, CanBuildJitRosenbrock)
  .SetReactions(reactions)
  .SetNumberOfGridCells(L)
  .Build();
+}
+
+TEST(SolverBuilder, MismatchedToleranceSizeIsCaught)
+{
+ auto params = micm::RosenbrockSolverParameters::ThreeStageRosenbrockParameters();
+ // too many
+ params.absolute_tolerance_ = { 1e-6, 1e-6, 1e-6, 1e-6, 1e-6 };
+
+ constexpr std::size_t L = 4;
+ using jit_builder = micm::JitSolverBuilder<micm::JitRosenbrockSolverParameters, L>;
+
+ EXPECT_ANY_THROW(
+ jit_builder(params)
+ .SetSystem(the_system)
+ .SetReactions(reactions)
+ .SetNumberOfGridCells(L)
+ .Build();
+ );
+
+ // too few
+ params.absolute_tolerance_ = { 1e-6, 1e-6 };
+ EXPECT_ANY_THROW(
+ jit_builder(params)
+ .SetSystem(the_system)
+ .SetReactions(reactions)
+ .SetNumberOfGridCells(L)
+ .Build();
+ );
 }

test/unit/solver/test_solver_builder.cpp

@@ -104,4 +104,36 @@ TEST(SolverBuilder, CanBuildRosenbrock)
  .SetReactions(reactions)
  .SetNumberOfGridCells(1)
  .Build();
+}
+
+TEST(SolverBuilder, MismatchedToleranceSizeIsCaught)
+{
+ auto params = micm::RosenbrockSolverParameters::ThreeStageRosenbrockParameters();
+ // too many
+ params.absolute_tolerance_ = { 1e-6, 1e-6, 1e-6, 1e-6, 1e-6 };
+ EXPECT_ANY_THROW(
+ micm::CpuSolverBuilder<micm::RosenbrockSolverParameters>(params)
+ .SetSystem(the_system)
+ .SetReactions(reactions)
+ .SetNumberOfGridCells(1)
+ .Build();
+ );
+
+ constexpr std::size_t L = 4;
+ // too few
+ params.absolute_tolerance_ = { 1e-6, 1e-6 };
+
+ auto builder = micm::CpuSolverBuilder<
+ micm::RosenbrockSolverParameters, 
+ micm::VectorMatrix<double, L>, 
+ micm::SparseMatrix<double, micm::SparseMatrixVectorOrdering<L>> 
+>(params);
+
+ EXPECT_ANY_THROW(
+ builder
+ .SetSystem(the_system)
+ .SetReactions(reactions)
+ .SetNumberOfGridCells(1)
+ .Build();
+ );
 }