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solver.cpp
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#include "amici/solver.h"
#include "amici/amici.h"
#include "amici/exception.h"
#include "amici/model.h"
#include "amici/symbolic_functions.h"
#include <sundials/sundials_context.h>
#include <cstdio>
#include <filesystem>
#include <memory>
namespace amici {
/* Error handler passed to SUNDIALS. */
void wrapErrHandlerFn(
[[maybe_unused]] int line, char const* func, char const* file,
char const* msg, SUNErrCode err_code, void* err_user_data,
[[maybe_unused]] SUNContext sunctx
) {
constexpr int BUF_SIZE = 250;
char msg_buffer[BUF_SIZE];
char id_buffer[BUF_SIZE];
static_assert(
std::is_same<SUNErrCode, int>::value, "Must update format string"
);
// for debug builds, include full file path and line numbers
#ifndef NDEBUG
snprintf(msg_buffer, BUF_SIZE, "%s:%d: %s (%d)", file, line, msg, err_code);
#else
snprintf(msg_buffer, BUF_SIZE, "%s", msg);
#endif
// we need a matlab-compatible message ID
// i.e. colon separated and only [A-Za-z0-9_]
// see https://mathworks.com/help/matlab/ref/mexception.html
std::filesystem::path path(file);
auto file_stem = path.stem().string();
// Error code to string. Remove 'AMICI_' prefix.
auto err_code_str = simulation_status_to_str(err_code);
constexpr std::string_view err_code_prefix = "AMICI_";
if (err_code_str.substr(0, err_code_prefix.size()) == err_code_prefix)
err_code_str = err_code_str.substr(err_code_prefix.size());
snprintf(
id_buffer, BUF_SIZE, "%s:%s:%s", file_stem.c_str(), func,
err_code_str.c_str()
);
if (!err_user_data) {
throw std::runtime_error("eh_data unset");
}
auto solver = static_cast<Solver const*>(err_user_data);
if (solver->logger)
solver->logger->log(LogSeverity::debug, id_buffer, msg_buffer);
}
Solver::Solver(Solver const& other)
: ism_(other.ism_)
, lmm_(other.lmm_)
, iter_(other.iter_)
, interp_type_(other.interp_type_)
, maxsteps_(other.maxsteps_)
, maxtime_(other.maxtime_)
, simulation_timer_(other.simulation_timer_)
, constraints_(other.constraints_)
, sensi_meth_(other.sensi_meth_)
, sensi_meth_preeq_(other.sensi_meth_preeq_)
, stldet_(other.stldet_)
, ordering_(other.ordering_)
, newton_maxsteps_(other.newton_maxsteps_)
, newton_damping_factor_mode_(other.newton_damping_factor_mode_)
, newton_damping_factor_lower_bound_(
other.newton_damping_factor_lower_bound_
)
, linsol_(other.linsol_)
, atol_(other.atol_)
, rtol_(other.rtol_)
, atol_fsa_(other.atol_fsa_)
, rtol_fsa_(other.rtol_fsa_)
, atolB_(other.atolB_)
, rtolB_(other.rtolB_)
, quad_atol_(other.quad_atol_)
, quad_rtol_(other.quad_rtol_)
, ss_tol_factor_(other.ss_tol_factor_)
, ss_atol_(other.ss_atol_)
, ss_rtol_(other.ss_rtol_)
, ss_tol_sensi_factor_(other.ss_tol_sensi_factor_)
, ss_atol_sensi_(other.ss_atol_sensi_)
, ss_rtol_sensi_(other.ss_rtol_sensi_)
, rdata_mode_(other.rdata_mode_)
, newton_step_steadystate_conv_(other.newton_step_steadystate_conv_)
, check_sensi_steadystate_conv_(other.check_sensi_steadystate_conv_)
, max_nonlin_iters_(other.max_nonlin_iters_)
, max_conv_fails_(other.max_conv_fails_)
, max_step_size_(other.max_step_size_)
, maxstepsB_(other.maxstepsB_)
, sensi_(other.sensi_) {
// update to our own context
constraints_.set_ctx(sunctx_);
}
SUNContext Solver::getSunContext() const { return sunctx_; }
void Solver::apply_max_num_steps() const {
// set remaining steps, setMaxNumSteps only applies to a single call of
// solve
long int cursteps;
getNumSteps(solver_memory_.get(), &cursteps);
if (maxsteps_ <= cursteps)
throw AmiException(
"Reached maximum number of steps %ld before reaching "
"tout at t=%g.",
maxsteps_, t_
);
setMaxNumSteps(maxsteps_ - cursteps);
}
void Solver::apply_max_num_steps_B() const {
// set remaining steps, setMaxNumSteps only applies to a single call of
// solve
long int curstepsB;
auto maxstepsB = (maxstepsB_ == 0) ? maxsteps_ * 100 : maxstepsB_;
for (int i_mem_b = 0; i_mem_b < (int)solver_memory_B_.size(); ++i_mem_b) {
if (solver_memory_B_.at(i_mem_b)) {
getNumSteps(solver_memory_B_.at(i_mem_b).get(), &curstepsB);
if (maxstepsB <= curstepsB)
throw AmiException(
"Reached maximum number of steps %ld before "
"reaching tout at t=%g in backward "
"problem %i.",
maxstepsB_, t_, i_mem_b
);
setMaxNumStepsB(i_mem_b, maxstepsB - curstepsB);
}
}
}
int Solver::run(realtype const tout) const {
setStopTime(tout);
CpuTimer cpu_timer;
int status = AMICI_SUCCESS;
apply_max_num_steps();
if (nx() > 0) {
if (getAdjInitDone()) {
status = solveF(tout, AMICI_NORMAL, &ncheckPtr_);
} else {
status = solve(tout, AMICI_NORMAL);
}
} else {
t_ = tout;
}
cpu_time_ += cpu_timer.elapsed_milliseconds();
return status;
}
int Solver::step(realtype const tout) const {
int status = AMICI_SUCCESS;
apply_max_num_steps();
if (nx() > 0) {
if (getAdjInitDone()) {
status = solveF(tout, AMICI_ONE_STEP, &ncheckPtr_);
} else {
status = solve(tout, AMICI_ONE_STEP);
}
} else {
t_ = tout;
}
return status;
}
void Solver::runB(realtype const tout) const {
CpuTimer cpu_timer;
apply_max_num_steps_B();
if (nx() > 0) {
solveB(tout, AMICI_NORMAL);
}
cpu_timeB_ += cpu_timer.elapsed_milliseconds();
t_ = tout;
}
void Solver::setup(
realtype const t0, Model* model, AmiVector const& x0, AmiVector const& dx0,
AmiVectorArray const& sx0, AmiVectorArray const& sdx0
) const {
if (nx() != model->nx_solver || nplist() != model->nplist()
|| nquad() != model->nJ * model->nplist()) {
resetMutableMemory(
model->nx_solver, model->nplist(), model->nJ * model->nplist()
);
}
/* Create solver memory object if necessary */
allocateSolver();
if (!solver_memory_)
throw AmiException("Failed to allocated solver memory!");
/* Initialize CVodes/IDAs solver*/
init(t0, x0, dx0);
/* Clear diagnosis storage */
resetDiagnosis();
/* Apply stored tolerances to sundials solver */
applyTolerances();
/* Set optional inputs */
setErrHandlerFn();
/* Attaches userdata */
user_data = std::make_pair(model, this);
setUserData();
/* activates stability limit detection */
setStabLimDet(stldet_);
rootInit(model->ne_solver);
if (nx() == 0)
return;
initializeLinearSolver(model);
initializeNonLinearSolver();
if (sensi_ >= SensitivityOrder::first
&& sensi_meth_ > SensitivityMethod::none && model->nx_solver > 0) {
auto plist = model->getParameterList();
sensInit1(sx0, sdx0);
if (sensi_meth_ == SensitivityMethod::forward && !plist.empty()) {
/* Set sensitivity analysis optional inputs */
auto par = model->getUnscaledParameters();
/* Activate sensitivity calculations and apply tolerances */
initializeNonLinearSolverSens(model);
setSensParams(par.data(), nullptr, plist.data());
applyTolerancesFSA();
} else {
/* Allocate space for the adjoint computation */
adjInit();
}
}
setId(model);
setSuppressAlg(true);
/* calculate consistent DAE initial conditions (no effect for ODE) */
if (model->nt() > 1)
calcIC(model->getTimepoint(1));
apply_max_nonlin_iters();
apply_max_conv_fails();
apply_max_step_size();
cpu_time_ = 0.0;
cpu_timeB_ = 0.0;
apply_constraints();
}
void Solver::setupB(
int* which, realtype const tf, Model* model, AmiVector const& xB0,
AmiVector const& dxB0, AmiVector const& xQB0
) const {
if (!solver_memory_)
throw AmiException("Solver for the forward problem must be setup first"
);
/* allocate memory for the backward problem */
allocateSolverB(which);
/* initialise states */
binit(*which, tf, xB0, dxB0);
/* Attach user data */
setUserDataB(*which);
if (nx() == 0)
return;
initializeLinearSolverB(model, *which);
initializeNonLinearSolverB(*which);
/* Initialise quadrature calculation */
qbinit(*which, xQB0);
applyTolerancesASA(*which);
applyQuadTolerancesASA(*which);
setStabLimDetB(*which, stldet_);
}
void Solver::setupSteadystate(
realtype const t0, Model* model, AmiVector const& x0, AmiVector const& dx0,
AmiVector const& xB0, AmiVector const& dxB0, AmiVector const& xQ0
) const {
/* Initialize CVodes/IDAs solver with steadystate RHS function */
initSteadystate(t0, x0, dx0);
/* Allocate space for forward quadratures */
quadInit(xQ0);
/* Apply tolerances */
applyQuadTolerances();
/* Check linear solver (works only with KLU atm) */
if (linsol_ != LinearSolver::KLU)
throw AmiException("Backward steady state computation via integration "
"is currently only implemented for KLU linear solver"
);
/* Set Jacobian function and initialize values */
setSparseJacFn_ss();
model->writeSteadystateJB(t0, 0, x0, dx0, xB0, dxB0, xB0);
}
void Solver::updateAndReinitStatesAndSensitivities(Model* model) const {
model->reinitialize(
t_, x_, sx_, getSensitivityOrder() >= SensitivityOrder::first
);
reInit(t_, x_, dx_);
if (getSensitivityOrder() >= SensitivityOrder::first
&& getSensitivityMethod() == SensitivityMethod::forward) {
sensReInit(sx_, sdx_);
}
}
void Solver::resetDiagnosis() const {
ns_.clear();
nrhs_.clear();
netf_.clear();
nnlscf_.clear();
order_.clear();
nsB_.clear();
nrhsB_.clear();
netfB_.clear();
nnlscfB_.clear();
}
void Solver::storeDiagnosis() const {
if (!solver_was_called_F_ || !solver_memory_) {
ns_.push_back(0);
nrhs_.push_back(0);
netf_.push_back(0);
nnlscf_.push_back(0);
order_.push_back(0);
return;
}
long int lnumber;
getNumSteps(solver_memory_.get(), &lnumber);
ns_.push_back(gsl::narrow<int>(lnumber));
getNumRhsEvals(solver_memory_.get(), &lnumber);
nrhs_.push_back(gsl::narrow<int>(lnumber));
getNumErrTestFails(solver_memory_.get(), &lnumber);
netf_.push_back(gsl::narrow<int>(lnumber));
getNumNonlinSolvConvFails(solver_memory_.get(), &lnumber);
nnlscf_.push_back(gsl::narrow<int>(lnumber));
int number;
getLastOrder(solver_memory_.get(), &number);
order_.push_back(number);
}
void Solver::storeDiagnosisB(int const which) const {
if (!solver_was_called_B_ || !solver_memory_B_.at(which)) {
nsB_.push_back(0);
nrhsB_.push_back(0);
netfB_.push_back(0);
nnlscfB_.push_back(0);
return;
}
long int number;
getNumSteps(solver_memory_B_.at(which).get(), &number);
nsB_.push_back(gsl::narrow<int>(number));
getNumRhsEvals(solver_memory_B_.at(which).get(), &number);
nrhsB_.push_back(gsl::narrow<int>(number));
getNumErrTestFails(solver_memory_B_.at(which).get(), &number);
netfB_.push_back(gsl::narrow<int>(number));
getNumNonlinSolvConvFails(solver_memory_B_.at(which).get(), &number);
nnlscfB_.push_back(gsl::narrow<int>(number));
}
void Solver::initializeLinearSolver(Model const* model) const {
switch (linsol_) {
/* DIRECT SOLVERS */
case LinearSolver::dense:
linear_solver_ = std::make_unique<SUNLinSolDense>(x_);
setLinearSolver();
setDenseJacFn();
break;
case LinearSolver::band:
linear_solver_
= std::make_unique<SUNLinSolBand>(x_, model->ubw, model->lbw);
setLinearSolver();
setBandJacFn();
break;
case LinearSolver::LAPACKDense:
throw AmiException("Solver currently not supported!");
case LinearSolver::LAPACKBand:
throw AmiException("Solver currently not supported!");
case LinearSolver::diag:
diag();
setDenseJacFn();
break;
/* ITERATIVE SOLVERS */
case LinearSolver::SPGMR:
linear_solver_ = std::make_unique<SUNLinSolSPGMR>(x_);
setLinearSolver();
setJacTimesVecFn();
break;
case LinearSolver::SPBCG:
linear_solver_ = std::make_unique<SUNLinSolSPBCGS>(x_);
setLinearSolver();
setJacTimesVecFn();
break;
case LinearSolver::SPTFQMR:
linear_solver_ = std::make_unique<SUNLinSolSPTFQMR>(x_);
setLinearSolver();
setJacTimesVecFn();
break;
/* SPARSE SOLVERS */
case LinearSolver::KLU:
linear_solver_ = std::make_unique<SUNLinSolKLU>(
x_, model->nnz, CSC_MAT,
static_cast<SUNLinSolKLU::StateOrdering>(getStateOrdering())
);
setLinearSolver();
setSparseJacFn();
break;
#ifdef SUNDIALS_SUPERLUMT
case LinearSolver::SuperLUMT:
// TODO state ordering
linearSolver = std::make_unique<SUNLinSolSuperLUMT>(
*x, model->nnz, CSC_MAT,
static_cast<SUNLinSolSuperLUMT::StateOrdering>(getStateOrdering())
);
setLinearSolver();
setSparseJacFn();
break;
#endif
default:
throw AmiException(
"Invalid choice of solver: %d", static_cast<int>(linsol_)
);
}
}
void Solver::initializeNonLinearSolver() const {
switch (iter_) {
case NonlinearSolverIteration::newton:
non_linear_solver_
= std::make_unique<SUNNonLinSolNewton>(x_.getNVector());
break;
case NonlinearSolverIteration::fixedpoint:
non_linear_solver_
= std::make_unique<SUNNonLinSolFixedPoint>(x_.getNVector());
break;
default:
throw AmiException(
"Invalid non-linear solver specified (%d).", static_cast<int>(iter_)
);
}
setNonLinearSolver();
}
void Solver::initializeLinearSolverB(Model const* model, int const which)
const {
switch (linsol_) {
/* DIRECT SOLVERS */
case LinearSolver::dense:
linear_solver_B_ = std::make_unique<SUNLinSolDense>(xB_);
setLinearSolverB(which);
setDenseJacFnB(which);
break;
case LinearSolver::band:
linear_solver_B_
= std::make_unique<SUNLinSolBand>(xB_, model->ubw, model->lbw);
setLinearSolverB(which);
setBandJacFnB(which);
break;
case LinearSolver::LAPACKDense:
throw AmiException("Solver currently not supported!");
case LinearSolver::LAPACKBand:
throw AmiException("Solver currently not supported!");
case LinearSolver::diag:
diagB(which);
setDenseJacFnB(which);
break;
/* ITERATIVE SOLVERS */
case LinearSolver::SPGMR:
linear_solver_B_ = std::make_unique<SUNLinSolSPGMR>(xB_);
setLinearSolverB(which);
setJacTimesVecFnB(which);
break;
case LinearSolver::SPBCG:
linear_solver_B_ = std::make_unique<SUNLinSolSPBCGS>(xB_);
setLinearSolverB(which);
setJacTimesVecFnB(which);
break;
case LinearSolver::SPTFQMR:
linear_solver_B_ = std::make_unique<SUNLinSolSPTFQMR>(xB_);
setLinearSolverB(which);
setJacTimesVecFnB(which);
break;
/* SPARSE SOLVERS */
case LinearSolver::KLU:
linear_solver_B_ = std::make_unique<SUNLinSolKLU>(
xB_, model->nnz, CSC_MAT,
static_cast<SUNLinSolKLU::StateOrdering>(getStateOrdering())
);
setLinearSolverB(which);
setSparseJacFnB(which);
break;
#ifdef SUNDIALS_SUPERLUMT
case LinearSolver::SuperLUMT:
linearSolverB = std::make_unique<SUNLinSolSuperLUMT>(
*xB, model->nnz, CSC_MAT,
static_cast<SUNLinSolSuperLUMT::StateOrdering>(getStateOrdering())
);
setLinearSolverB(which);
setSparseJacFnB(which);
break;
#endif
default:
throw AmiException(
"Invalid choice of solver: %d", static_cast<int>(linsol_)
);
}
}
void Solver::initializeNonLinearSolverB(int const which) const {
switch (iter_) {
case NonlinearSolverIteration::newton:
non_linear_solver_B_
= std::make_unique<SUNNonLinSolNewton>(xB_.getNVector());
break;
case NonlinearSolverIteration::fixedpoint:
non_linear_solver_B_
= std::make_unique<SUNNonLinSolFixedPoint>(xB_.getNVector());
break;
default:
throw AmiException(
"Invalid non-linear solver specified (%d).", static_cast<int>(iter_)
);
}
setNonLinearSolverB(which);
}
bool operator==(Solver const& a, Solver const& b) {
if (typeid(a) != typeid(b))
return false;
return (a.interp_type_ == b.interp_type_) && (a.lmm_ == b.lmm_)
&& (a.iter_ == b.iter_) && (a.stldet_ == b.stldet_)
&& (a.ordering_ == b.ordering_)
&& (a.newton_maxsteps_ == b.newton_maxsteps_)
&& (a.newton_damping_factor_mode_ == b.newton_damping_factor_mode_)
&& (a.newton_damping_factor_lower_bound_
== b.newton_damping_factor_lower_bound_)
&& (a.ism_ == b.ism_) && (a.linsol_ == b.linsol_)
&& (a.atol_ == b.atol_) && (a.rtol_ == b.rtol_)
&& (a.maxsteps_ == b.maxsteps_) && (a.maxstepsB_ == b.maxstepsB_)
&& (a.quad_atol_ == b.quad_atol_) && (a.quad_rtol_ == b.quad_rtol_)
&& (a.maxtime_ == b.maxtime_)
&& (a.getAbsoluteToleranceSteadyState()
== b.getAbsoluteToleranceSteadyState())
&& (a.getRelativeToleranceSteadyState()
== b.getRelativeToleranceSteadyState())
&& (a.getAbsoluteToleranceSteadyStateSensi()
== b.getAbsoluteToleranceSteadyStateSensi())
&& (a.getRelativeToleranceSteadyStateSensi()
== b.getRelativeToleranceSteadyStateSensi())
&& (a.rtol_fsa_ == b.rtol_fsa_
|| (isNaN(a.rtol_fsa_) && isNaN(b.rtol_fsa_)))
&& (a.atol_fsa_ == b.atol_fsa_
|| (isNaN(a.atol_fsa_) && isNaN(b.atol_fsa_)))
&& (a.rtolB_ == b.rtolB_ || (isNaN(a.rtolB_) && isNaN(b.rtolB_)))
&& (a.atolB_ == b.atolB_ || (isNaN(a.atolB_) && isNaN(b.atolB_)))
&& (a.sensi_ == b.sensi_) && (a.sensi_meth_ == b.sensi_meth_)
&& (a.newton_step_steadystate_conv_
== b.newton_step_steadystate_conv_)
&& (a.check_sensi_steadystate_conv_
== b.check_sensi_steadystate_conv_)
&& (a.rdata_mode_ == b.rdata_mode_)
&& (a.max_conv_fails_ == b.max_conv_fails_)
&& (a.max_nonlin_iters_ == b.max_nonlin_iters_)
&& (a.max_step_size_ == b.max_step_size_)
&& (a.constraints_.getVector() == b.constraints_.getVector());
}
void Solver::applyTolerances() const {
if (!getInitDone())
throw AmiException("Solver instance was not yet set up, the "
"tolerances cannot be applied yet!");
setSStolerances(rtol_, atol_);
}
void Solver::applyTolerancesFSA() const {
if (!getInitDone())
throw AmiException("Solver instance was not yet set up, the "
"tolerances cannot be applied yet!");
if (sensi_ < SensitivityOrder::first)
return;
if (nplist()) {
std::vector<realtype> atols(nplist(), getAbsoluteToleranceFSA());
setSensSStolerances(getRelativeToleranceFSA(), atols.data());
setSensErrCon(true);
}
}
void Solver::applyTolerancesASA(int const which) const {
if (!getAdjInitDone())
throw AmiException("Adjoint solver instance was not yet set up, the "
"tolerances cannot be applied yet!");
if (sensi_ < SensitivityOrder::first)
return;
/* specify integration tolerances for backward problem */
setSStolerancesB(which, getRelativeToleranceB(), getAbsoluteToleranceB());
}
void Solver::applyQuadTolerancesASA(int const which) const {
if (!getAdjInitDone())
throw AmiException("Adjoint solver instance was not yet set up, the "
"tolerances cannot be applied yet!");
if (sensi_ < SensitivityOrder::first)
return;
realtype quad_rtol = isNaN(quad_rtol_) ? rtol_ : quad_rtol_;
realtype quad_atol = isNaN(quad_atol_) ? atol_ : quad_atol_;
/* Enable Quadrature Error Control */
setQuadErrConB(which, !std::isinf(quad_atol) && !std::isinf(quad_rtol));
quadSStolerancesB(which, quad_rtol, quad_atol);
}
void Solver::applyQuadTolerances() const {
if (!getQuadInitDone())
throw AmiException("Quadratures were not initialized, the "
"tolerances cannot be applied yet!");
if (sensi_ < SensitivityOrder::first)
return;
realtype quad_rtolF = isNaN(quad_rtol_) ? rtol_ : quad_rtol_;
realtype quad_atolF = isNaN(quad_atol_) ? atol_ : quad_atol_;
/* Enable Quadrature Error Control */
setQuadErrCon(!std::isinf(quad_atolF) && !std::isinf(quad_rtolF));
quadSStolerances(quad_rtolF, quad_atolF);
}
void Solver::applySensitivityTolerances() const {
if (sensi_ < SensitivityOrder::first)
return;
if (sensi_meth_ == SensitivityMethod::forward)
applyTolerancesFSA();
else if (sensi_meth_ == SensitivityMethod::adjoint && getAdjInitDone()) {
for (int iMem = 0; iMem < (int)solver_memory_B_.size(); ++iMem)
applyTolerancesASA(iMem);
}
}
void Solver::apply_constraints() const {
if (constraints_.getLength() != 0
&& gsl::narrow<int>(constraints_.getLength()) != nx()) {
throw std::invalid_argument(
"Constraints must have the same size as the state vector."
);
}
}
SensitivityMethod Solver::getSensitivityMethod() const { return sensi_meth_; }
SensitivityMethod Solver::getSensitivityMethodPreequilibration() const {
return sensi_meth_preeq_;
}
void Solver::setSensitivityMethod(SensitivityMethod const sensi_meth) {
checkSensitivityMethod(sensi_meth, false);
this->sensi_meth_ = sensi_meth;
}
void Solver::setSensitivityMethodPreequilibration(
SensitivityMethod const sensi_meth_preeq
) {
checkSensitivityMethod(sensi_meth_preeq, true);
sensi_meth_preeq_ = sensi_meth_preeq;
}
void Solver::checkSensitivityMethod(
SensitivityMethod const sensi_meth, bool preequilibration
) const {
if (rdata_mode_ == RDataReporting::residuals
&& sensi_meth == SensitivityMethod::adjoint)
throw AmiException("Adjoint Sensitivity Analysis is not compatible with"
" only reporting residuals!");
if (!preequilibration && sensi_meth != sensi_meth_)
resetMutableMemory(nx(), nplist(), nquad());
}
void Solver::setMaxNonlinIters(int max_nonlin_iters) {
if (max_nonlin_iters < 0)
throw AmiException("max_nonlin_iters must be a non-negative number");
max_nonlin_iters_ = max_nonlin_iters;
}
int Solver::getMaxNonlinIters() const { return max_nonlin_iters_; }
void Solver::setMaxConvFails(int max_conv_fails) {
if (max_conv_fails < 0)
throw AmiException("max_conv_fails must be a non-negative number");
max_conv_fails_ = max_conv_fails;
}
int Solver::getMaxConvFails() const { return max_conv_fails_; }
void Solver::setConstraints(std::vector<realtype> const& constraints) {
auto any_constraint
= std::any_of(constraints.begin(), constraints.end(), [](bool x) {
return x != 0.0;
});
if (!any_constraint) {
// all-0 must be converted to empty, otherwise sundials will fail
constraints_ = AmiVector(0, sunctx_);
return;
}
constraints_ = AmiVector(constraints, sunctx_);
}
void Solver::setMaxStepSize(realtype max_step_size) {
if (max_step_size < 0)
throw AmiException("max_step_size must be non-negative.");
max_step_size_ = max_step_size;
}
realtype Solver::getMaxStepSize() const { return max_step_size_; }
int Solver::getNewtonMaxSteps() const { return newton_maxsteps_; }
void Solver::setNewtonMaxSteps(int const newton_maxsteps) {
if (newton_maxsteps < 0)
throw AmiException("newton_maxsteps must be a non-negative number");
newton_maxsteps_ = newton_maxsteps;
}
NewtonDampingFactorMode Solver::getNewtonDampingFactorMode() const {
return newton_damping_factor_mode_;
}
void Solver::setNewtonDampingFactorMode(
NewtonDampingFactorMode dampingFactorMode
) {
newton_damping_factor_mode_ = dampingFactorMode;
}
double Solver::getNewtonDampingFactorLowerBound() const {
return newton_damping_factor_lower_bound_;
}
void Solver::setNewtonDampingFactorLowerBound(double dampingFactorLowerBound) {
newton_damping_factor_lower_bound_ = dampingFactorLowerBound;
}
SensitivityOrder Solver::getSensitivityOrder() const { return sensi_; }
void Solver::setSensitivityOrder(SensitivityOrder const sensi) {
if (sensi_ != sensi)
resetMutableMemory(nx(), nplist(), nquad());
sensi_ = sensi;
if (getInitDone())
applySensitivityTolerances();
}
double Solver::getRelativeTolerance() const {
return static_cast<double>(rtol_);
}
void Solver::setRelativeTolerance(double const rtol) {
if (rtol < 0)
throw AmiException("rtol must be a non-negative number");
rtol_ = static_cast<realtype>(rtol);
if (getInitDone()) {
applyTolerances();
applySensitivityTolerances();
}
}
double Solver::getAbsoluteTolerance() const {
return static_cast<double>(atol_);
}
void Solver::setAbsoluteTolerance(double atol) {
if (atol < 0)
throw AmiException("atol must be a non-negative number");
atol_ = static_cast<realtype>(atol);
if (getInitDone()) {
applyTolerances();
applySensitivityTolerances();
}
}
double Solver::getRelativeToleranceFSA() const {
return static_cast<double>(isNaN(rtol_fsa_) ? rtol_ : rtol_fsa_);
}
void Solver::setRelativeToleranceFSA(double const rtol) {
if (rtol < 0)
throw AmiException("rtol must be a non-negative number");
rtol_fsa_ = static_cast<realtype>(rtol);
if (getInitDone()) {
applySensitivityTolerances();
}
}
double Solver::getAbsoluteToleranceFSA() const {
return static_cast<double>(isNaN(atol_fsa_) ? atol_ : atol_fsa_);
}
void Solver::setAbsoluteToleranceFSA(double const atol) {
if (atol < 0)
throw AmiException("atol must be a non-negative number");
atol_fsa_ = static_cast<realtype>(atol);
if (getInitDone()) {
applySensitivityTolerances();
}
}
double Solver::getRelativeToleranceB() const {
return static_cast<double>(isNaN(rtolB_) ? rtol_ : rtolB_);
}
void Solver::setRelativeToleranceB(double const rtol) {
if (rtol < 0)
throw AmiException("rtol must be a non-negative number");
rtolB_ = static_cast<realtype>(rtol);
if (getInitDone()) {
applySensitivityTolerances();
}
}
double Solver::getAbsoluteToleranceB() const {
return static_cast<double>(isNaN(atolB_) ? atol_ : atolB_);
}
void Solver::setAbsoluteToleranceB(double const atol) {
if (atol < 0)
throw AmiException("atol must be a non-negative number");
atolB_ = static_cast<realtype>(atol);
if (getInitDone()) {
applySensitivityTolerances();
}
}
double Solver::getRelativeToleranceQuadratures() const {
return static_cast<double>(quad_rtol_);
}
void Solver::setRelativeToleranceQuadratures(double const rtol) {
if (rtol < 0)
throw AmiException("rtol must be a non-negative number");
quad_rtol_ = static_cast<realtype>(rtol);
if (sensi_meth_ != SensitivityMethod::adjoint)
return;
for (int iMem = 0; iMem < (int)solver_memory_B_.size(); ++iMem)
if (solver_memory_B_.at(iMem))
applyQuadTolerancesASA(iMem);
}
double Solver::getAbsoluteToleranceQuadratures() const {
return static_cast<double>(quad_atol_);
}
void Solver::setAbsoluteToleranceQuadratures(double const atol) {
if (atol < 0)
throw AmiException("atol must be a non-negative number");
quad_atol_ = static_cast<realtype>(atol);
if (sensi_meth_ != SensitivityMethod::adjoint)
return;
for (int iMem = 0; iMem < (int)solver_memory_B_.size(); ++iMem)
if (solver_memory_B_.at(iMem))
applyTolerancesASA(iMem);
}
double Solver::getSteadyStateToleranceFactor() const {
return static_cast<double>(ss_tol_factor_);
}
void Solver::setSteadyStateToleranceFactor(double const ss_tol_factor) {
if (ss_tol_factor < 0)
throw AmiException("ss_tol_factor must be a non-negative number");
ss_tol_factor_ = static_cast<realtype>(ss_tol_factor);
}
double Solver::getRelativeToleranceSteadyState() const {
return static_cast<double>(
isNaN(ss_rtol_) ? rtol_ * ss_tol_factor_ : ss_rtol_
);
}
void Solver::setRelativeToleranceSteadyState(double const rtol) {
if (rtol < 0)
throw AmiException("rtol must be a non-negative number");
ss_rtol_ = static_cast<realtype>(rtol);
}
double Solver::getAbsoluteToleranceSteadyState() const {
return static_cast<double>(
isNaN(ss_atol_) ? atol_ * ss_tol_factor_ : ss_atol_
);
}
void Solver::setAbsoluteToleranceSteadyState(double const atol) {
if (atol < 0)
throw AmiException("atol must be a non-negative number");
ss_atol_ = static_cast<realtype>(atol);
}
double Solver::getSteadyStateSensiToleranceFactor() const {
return static_cast<double>(ss_tol_sensi_factor_);
}
void Solver::setSteadyStateSensiToleranceFactor(double const ss_tol_sensi_factor
) {
if (ss_tol_sensi_factor < 0)
throw AmiException("ss_tol_sensi_factor must be a non-negative number");
ss_tol_sensi_factor_ = static_cast<realtype>(ss_tol_sensi_factor);
}