mirror of
https://github.com/Cantera/cantera.git
synced 2025-02-25 18:55:29 -06:00
A couple of changes in code that isn't turned on atm.
This commit is contained in:
Harry Moffat
@@ -5,7 +5,7 @@
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* Header file for class DAE_Solver
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*/
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/* $Author$
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/*
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* $Date$
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* $Revision$
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*
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@@ -26,6 +26,7 @@
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namespace Cantera {
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#ifdef DAE_DEVEL
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/**
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* @defgroup numerics Numerical Utilities within Cantera
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*
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@@ -218,6 +219,8 @@ namespace Cantera {
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}
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};
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#endif
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}
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#endif
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@@ -2,6 +2,10 @@
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* @file DASPK.cpp
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*
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*/
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/*
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* $Date$
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* $Revision$
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*/
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// Copyright 2001 California Institute of Technology
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@@ -20,262 +24,262 @@ using namespace std;
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extern "C" {
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typedef void (*ResidFunc)(const doublereal* t,
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const doublereal* y, const doublereal* yprime,
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const doublereal* cj, doublereal* delta,
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integer* ires, doublereal* rpar, integer* ipar);
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typedef void (*ResidFunc)(const doublereal* t,
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const doublereal* y, const doublereal* yprime,
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const doublereal* cj, doublereal* delta,
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integer* ires, doublereal* rpar, integer* ipar);
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typedef void (*JacFunc)();
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typedef void (*PsolFunc)();
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typedef void (*JacFunc)();
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typedef void (*PsolFunc)();
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extern void ddaspk_(ResidFunc res, integer* neq, doublereal* t,
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doublereal* y, doublereal* yprime, doublereal* tout, integer* info,
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doublereal* rtol, doublereal* atol, integer* idid, doublereal* rwork,
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integer* lrw, integer* iwork, integer* liw, doublereal* rpar,
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integer* ipar, JacFunc jac, PsolFunc psol);
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extern void ddaspk_(ResidFunc res, integer* neq, doublereal* t,
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doublereal* y, doublereal* yprime, doublereal* tout, integer* info,
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doublereal* rtol, doublereal* atol, integer* idid, doublereal* rwork,
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integer* lrw, integer* iwork, integer* liw, doublereal* rpar,
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integer* ipar, JacFunc jac, PsolFunc psol);
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/**
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* Function called by DASPK to evaluate the residual.
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*/
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static void ddaspk_res(const doublereal* t,
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const doublereal* y, const doublereal* yprime,
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const doublereal* cj, doublereal* delta,
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integer* ires, doublereal* rpar, integer* ipar) {
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void **iddres_res = reinterpret_cast<void **>(&(ipar[0]));
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void *hndl = *iddres_res;
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Cantera::ResidEval* f = (Cantera::ResidEval*)hndl;
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double delta_t = 0.0;
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f->evalResid(*t, delta_t, y, yprime, delta);
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}
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/**
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* Function called by DASPK to evaluate the residual.
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*/
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static void ddaspk_res(const doublereal* t,
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const doublereal* y, const doublereal* yprime,
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const doublereal* cj, doublereal* delta,
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integer* ires, doublereal* rpar, integer* ipar) {
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void **iddres_res = reinterpret_cast<void **>(&(ipar[0]));
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void *hndl = *iddres_res;
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Cantera::ResidEval* f = (Cantera::ResidEval*)hndl;
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double delta_t = 0.0;
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f->evalResid(*t, delta_t, y, yprime, delta);
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}
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static void ddaspk_jac() {}
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static void ddaspk_psol() {}
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static void ddaspk_jac() {}
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static void ddaspk_psol() {}
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}
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namespace Cantera {
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class DASPKErr : public CanteraError {
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public:
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DASPKErr(string proc, string msg)
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: CanteraError("DASPK::"+proc,msg) {}
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virtual ~DASPKErr(){}
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};
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class DASPKErr : public CanteraError {
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public:
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DASPKErr(string proc, string msg)
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: CanteraError("DASPK::"+proc,msg) {}
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virtual ~DASPKErr(){}
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};
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/**
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* Constructor. Default settings: dense jacobian, no user-supplied
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* Jacobian function, Newton iteration.
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*/
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DASPK::DASPK(ResidEval& f) :
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m_resid(f),
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m_idid(0),
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m_lrw(0),
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m_liw(0),
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m_ml(0),
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m_mu(0),
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m_lenwp(0),
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m_ok(false),
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m_init(false),
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m_time(0.0)
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{
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m_info.resize(20);
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m_neq = f.neq();
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m_rwork.resize(20); // will be reset later
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m_iwork.resize(20); // "
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m_ipar.resize(2);
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m_rpar.resize(2);
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void *iddr = static_cast<void *>(&m_resid);
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void **iddr_ipar = reinterpret_cast<void **>(&(m_ipar[0]));
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*iddr_ipar = iddr;
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setTolerances(1.e-7, 1.e-15);
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}
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/**
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* Constructor. Default settings: dense jacobian, no user-supplied
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* Jacobian function, Newton iteration.
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*/
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DASPK::DASPK(ResidEval& f) :
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m_resid(f),
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m_idid(0),
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m_lrw(0),
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m_liw(0),
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m_ml(0),
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m_mu(0),
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m_lenwp(0),
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m_ok(false),
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m_init(false),
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m_time(0.0)
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{
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m_info.resize(20);
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m_neq = f.neq();
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m_rwork.resize(20); // will be reset later
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m_iwork.resize(20); // "
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m_ipar.resize(2);
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m_rpar.resize(2);
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void *iddr = static_cast<void *>(&m_resid);
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void **iddr_ipar = reinterpret_cast<void **>(&(m_ipar[0]));
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*iddr_ipar = iddr;
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setTolerances(1.e-7, 1.e-15);
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}
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/// Destructor.
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DASPK::~DASPK(){}
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/// Destructor.
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DASPK::~DASPK(){}
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void DASPK::setTolerances(int nr, double* reltol, int na, double* abstol) {
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// scalar tolerances
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if (nr == 1 && na == 1) {
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setInfo(2,0);
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m_rtol.resize(1);
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m_rtol[0] = reltol[0];
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m_atol.resize(1);
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m_atol[0] = abstol[0];
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}
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// vector tolerances
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else {
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setInfo(2,1);
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m_rtol.resize(neq());
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m_atol.resize(neq());
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copy(reltol, reltol + nr, m_rtol.begin());
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copy(abstol, abstol + na, m_atol.begin());
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}
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void DASPK::setTolerances(int nr, double* reltol, int na, double* abstol) {
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// scalar tolerances
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if (nr == 1 && na == 1) {
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setInfo(2,0);
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m_rtol.resize(1);
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m_rtol[0] = reltol[0];
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m_atol.resize(1);
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m_atol[0] = abstol[0];
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}
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void DASPK::setTolerances(double reltol, double abstol) {
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doublereal rtol = reltol;
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doublereal atol = abstol;
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setTolerances(1, &rtol, 1, &atol);
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// vector tolerances
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else {
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setInfo(2,1);
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m_rtol.resize(neq());
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m_atol.resize(neq());
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copy(reltol, reltol + nr, m_rtol.begin());
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copy(abstol, abstol + na, m_atol.begin());
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}
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}
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void DASPK::setJacobian(Jacobian& jac) {
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void DASPK::setTolerances(double reltol, double abstol) {
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doublereal rtol = reltol;
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doublereal atol = abstol;
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setTolerances(1, &rtol, 1, &atol);
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}
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void DASPK::setJacobian(Jacobian& jac) {
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// No Jacobian evaluation function is supplied, so let DASPK
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// compute the Jacobian by numerical finite-difference
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if (!jac.supplied()) setInfo(5,0);
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else {
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setInfo(5,1);
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}
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if (jac.isBanded()) {
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setInfo(6,1);
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setIwork(1, jac.lowerBandWidth());
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setIwork(2, jac.upperBandWidth());
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}
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else setInfo(6,0);
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// No Jacobian evaluation function is supplied, so let DASPK
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// compute the Jacobian by numerical finite-difference
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if (!jac.supplied()) setInfo(5,0);
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else {
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setInfo(5,1);
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}
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void DASPK::setMethod(int methodType) {
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if (methodType == cDirect)
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setInfo(12,0);
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else if (methodType == cKrylov)
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setInfo(12,1);
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else
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throw DASPKErr("setMethod",
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"method must be either cDirect "
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"or cKrylov");
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if (jac.isBanded()) {
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setInfo(6,1);
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setIwork(1, jac.lowerBandWidth());
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setIwork(2, jac.upperBandWidth());
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}
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else setInfo(6,0);
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}
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void DASPK::setMaxTime(doublereal tmax) {
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setInfo(4,1);
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setRwork(1,tmax);
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void DASPK::setMethod(int methodType) {
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if (methodType == cDirect)
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setInfo(12,0);
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else if (methodType == cKrylov)
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setInfo(12,1);
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else
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throw DASPKErr("setMethod",
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"method must be either cDirect "
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"or cKrylov");
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}
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void DASPK::setMaxTime(doublereal tmax) {
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setInfo(4,1);
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setRwork(1,tmax);
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}
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void DASPK::setMaxStepSize(doublereal dtmax) {
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setInfo(7,1);
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setRwork(2,dtmax);
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}
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void DASPK::setInitialIntStepSize(doublereal h0) {
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setInfo(8,1);
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setRwork(3,h0);
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}
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void DASPK::setMaxOrder(int n) {
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setInfo(9,1);
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setIwork(3,n);
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}
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void DASPK::estimateInitial_Y_given_Yp() {
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setInfo(11,2);
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}
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void DASPK::estimateInitial_YaYp_given_Yd(
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const vector<int>& vartypes) {
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setInfo(11,2);
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int m, n = neq();
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int lid = ((info(10) == 0 || info(10) == 2) ?
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41 : 41 + neq());
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if (int(m_iwork.size()) < lid + neq())
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m_iwork.resize(lid + neq());
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for (m = 0; m < n; m++) {
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setIwork(lid + m, vartypes[m]);
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}
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}
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void DASPK::setMaxStepSize(doublereal dtmax) {
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setInfo(7,1);
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setRwork(2,dtmax);
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}
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void DASPK::setInitialIntStepSize(doublereal h0) {
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setInfo(8,1);
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setRwork(3,h0);
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}
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void DASPK::setMaxOrder(int n) {
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setInfo(9,1);
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setIwork(3,n);
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}
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void DASPK::estimateInitial_Y_given_Yp() {
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setInfo(11,2);
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}
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void DASPK::estimateInitial_YaYp_given_Yd(
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const vector<int>& vartypes) {
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setInfo(11,2);
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int m, n = neq();
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int lid = ((info(10) == 0 || info(10) == 2) ?
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41 : 41 + neq());
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if (int(m_iwork.size()) < lid + neq())
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m_iwork.resize(lid + neq());
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for (m = 0; m < n; m++) {
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setIwork(lid + m, vartypes[m]);
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}
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}
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void DASPK::sizeRwork() {
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int base;
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if (info(12) == 0) {
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base = 50 + 9*neq();
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if (info(6) == 0)
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base += neq()*neq();
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else {
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base += (2*m_ml + m_mu + 1)*neq();
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if (info(5) == 0)
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base += 2*(neq()/(m_ml + m_mu + 1) + 1);
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}
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}
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else {
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base = 91 + 18*neq() + m_lenwp;
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}
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if (info(16) == 1) base += neq();
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/// @todo fix this!
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base = 2000000; // tmp
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m_rwork.resize(base, 0.0);
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m_lrw = base;
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}
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void DASPK::sizeIwork() {
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int base;
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if (info(12) == 0) {
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base = 40 + neq();
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}
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else {
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base = 40 + m_lenwp;
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}
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if (info(10) == 1 || info(10) == 3) base += neq();
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if (info(11) == 1 || info(16) == 1) base += neq();
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m_iwork.resize(base);
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m_liw = base;
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}
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void DASPK::init(doublereal t0)
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{
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m_init = true;
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m_time = t0;
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setInfo(1,0); // tells DASPK to initialize
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sizeRwork();
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sizeIwork();
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//m_resid.init(t0);
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}
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int DASPK::integrate(doublereal tout) {
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if (!m_init) init(0.0);
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doublereal tfinal = tout;
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setInfo(3,0); // don't want intermediate output
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ddaspk_(ddaspk_res, &m_neq, &m_time, m_resid.solution(),
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m_resid.solution_dot(), &tfinal, m_info.begin(),
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m_rtol.begin(), m_atol.begin(), &m_idid,
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m_rwork.begin(), &m_lrw, m_iwork.begin(), &m_liw,
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m_rpar.begin(), m_ipar.begin(), ddaspk_jac, ddaspk_psol);
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return m_idid;
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}
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void DASPK::step(double tout)
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{
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setInfo(3,1); // do want intermediate output
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||||
doublereal tfinal = tout;
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// setInfo(3,0); // don't want intermediate output
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ddaspk_(ddaspk_res, &m_neq, &m_time, m_resid.solution(),
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m_resid.solution_dot(), &tfinal, m_info.begin(),
|
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m_rtol.begin(), m_atol.begin(), &m_idid,
|
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m_rwork.begin(), &m_lrw, m_iwork.begin(), &m_liw,
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||||
m_rpar.begin(), m_ipar.begin(), ddaspk_jac, ddaspk_psol);
|
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if (m_idid < 0) {
|
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throw DASPKErr("step",
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||||
"DASPK returned IDID = "+int2str(m_idid));
|
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m_ok = false;
|
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}
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else if (m_idid == 1 || m_idid == 2 || m_idid == 3) {
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m_ok = true;
|
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}
|
||||
else {
|
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m_ok = false;
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}
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return;
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void DASPK::sizeRwork() {
|
||||
int base;
|
||||
if (info(12) == 0) {
|
||||
base = 50 + 9*neq();
|
||||
if (info(6) == 0)
|
||||
base += neq()*neq();
|
||||
else {
|
||||
base += (2*m_ml + m_mu + 1)*neq();
|
||||
if (info(5) == 0)
|
||||
base += 2*(neq()/(m_ml + m_mu + 1) + 1);
|
||||
}
|
||||
}
|
||||
else {
|
||||
base = 91 + 18*neq() + m_lenwp;
|
||||
}
|
||||
if (info(16) == 1) base += neq();
|
||||
|
||||
int DASPK::nEvals() const { return iwork(12); }
|
||||
/// @todo fix this!
|
||||
base = 2000000; // tmp
|
||||
|
||||
m_rwork.resize(base, 0.0);
|
||||
m_lrw = base;
|
||||
}
|
||||
|
||||
void DASPK::sizeIwork() {
|
||||
int base;
|
||||
if (info(12) == 0) {
|
||||
base = 40 + neq();
|
||||
}
|
||||
else {
|
||||
base = 40 + m_lenwp;
|
||||
}
|
||||
if (info(10) == 1 || info(10) == 3) base += neq();
|
||||
if (info(11) == 1 || info(16) == 1) base += neq();
|
||||
m_iwork.resize(base);
|
||||
m_liw = base;
|
||||
}
|
||||
|
||||
|
||||
void DASPK::init(doublereal t0)
|
||||
{
|
||||
m_init = true;
|
||||
m_time = t0;
|
||||
setInfo(1,0); // tells DASPK to initialize
|
||||
sizeRwork();
|
||||
sizeIwork();
|
||||
//m_resid.init(t0);
|
||||
}
|
||||
|
||||
int DASPK::integrate(doublereal tout) {
|
||||
if (!m_init) init(0.0);
|
||||
|
||||
doublereal tfinal = tout;
|
||||
setInfo(3,0); // don't want intermediate output
|
||||
|
||||
ddaspk_(ddaspk_res, &m_neq, &m_time, m_resid.solution(),
|
||||
m_resid.solution_dot(), &tfinal, m_info.begin(),
|
||||
m_rtol.begin(), m_atol.begin(), &m_idid,
|
||||
m_rwork.begin(), &m_lrw, m_iwork.begin(), &m_liw,
|
||||
m_rpar.begin(), m_ipar.begin(), ddaspk_jac, ddaspk_psol);
|
||||
|
||||
return m_idid;
|
||||
}
|
||||
|
||||
void DASPK::step(double tout)
|
||||
{
|
||||
setInfo(3,1); // do want intermediate output
|
||||
doublereal tfinal = tout;
|
||||
// setInfo(3,0); // don't want intermediate output
|
||||
|
||||
ddaspk_(ddaspk_res, &m_neq, &m_time, m_resid.solution(),
|
||||
m_resid.solution_dot(), &tfinal, m_info.begin(),
|
||||
m_rtol.begin(), m_atol.begin(), &m_idid,
|
||||
m_rwork.begin(), &m_lrw, m_iwork.begin(), &m_liw,
|
||||
m_rpar.begin(), m_ipar.begin(), ddaspk_jac, ddaspk_psol);
|
||||
if (m_idid < 0) {
|
||||
throw DASPKErr("step",
|
||||
"DASPK returned IDID = "+int2str(m_idid));
|
||||
m_ok = false;
|
||||
}
|
||||
else if (m_idid == 1 || m_idid == 2 || m_idid == 3) {
|
||||
m_ok = true;
|
||||
}
|
||||
else {
|
||||
m_ok = false;
|
||||
}
|
||||
return;
|
||||
}
|
||||
|
||||
int DASPK::nEvals() const { return iwork(12); }
|
||||
}
|
||||
|
||||
|
||||
|
||||
@@ -5,7 +5,7 @@
|
||||
* Header file for class DASPK
|
||||
*/
|
||||
|
||||
/* $Author$
|
||||
/*
|
||||
* $Date$
|
||||
* $Revision$
|
||||
*
|
||||
@@ -23,92 +23,92 @@
|
||||
|
||||
namespace Cantera {
|
||||
|
||||
class Jacobian {
|
||||
public:
|
||||
Jacobian(){}
|
||||
virtual ~Jacobian(){}
|
||||
virtual bool supplied() { return false; }
|
||||
virtual bool isBanded() { return false; }
|
||||
virtual int lowerBandWidth() { return 0; }
|
||||
virtual int upperBandWidth() { return 0; }
|
||||
};
|
||||
class Jacobian {
|
||||
public:
|
||||
Jacobian(){}
|
||||
virtual ~Jacobian(){}
|
||||
virtual bool supplied() { return false; }
|
||||
virtual bool isBanded() { return false; }
|
||||
virtual int lowerBandWidth() { return 0; }
|
||||
virtual int upperBandWidth() { return 0; }
|
||||
};
|
||||
|
||||
class BandedJac : public Jacobian {
|
||||
public:
|
||||
BandedJac(int ml, int mu) {
|
||||
m_ml = ml; m_mu = mu;
|
||||
}
|
||||
virtual bool supplied() { return false; }
|
||||
virtual bool isBanded() { return true; }
|
||||
virtual int lowerBandWidth() { return m_ml; }
|
||||
virtual int upperBandWidth() { return m_mu; }
|
||||
protected:
|
||||
int m_ml, m_mu;
|
||||
};
|
||||
class BandedJac : public Jacobian {
|
||||
public:
|
||||
BandedJac(int ml, int mu) {
|
||||
m_ml = ml; m_mu = mu;
|
||||
}
|
||||
virtual bool supplied() { return false; }
|
||||
virtual bool isBanded() { return true; }
|
||||
virtual int lowerBandWidth() { return m_ml; }
|
||||
virtual int upperBandWidth() { return m_mu; }
|
||||
protected:
|
||||
int m_ml, m_mu;
|
||||
};
|
||||
|
||||
class ResidEval;
|
||||
class ResidEval;
|
||||
|
||||
const int cDirect = 0;
|
||||
const int cKrylov = 1;
|
||||
const int cDirect = 0;
|
||||
const int cKrylov = 1;
|
||||
|
||||
/**
|
||||
* Wrapper for DASPK 2.0 DAE solver of Petzold et al.
|
||||
*/
|
||||
class DASPK {
|
||||
public:
|
||||
/**
|
||||
* Wrapper for DASPK 2.0 DAE solver of Petzold et al.
|
||||
*/
|
||||
class DASPK {
|
||||
public:
|
||||
|
||||
DASPK(ResidEval& f);
|
||||
virtual ~DASPK();
|
||||
DASPK(ResidEval& f);
|
||||
virtual ~DASPK();
|
||||
|
||||
integer iwork(int n) const { return m_iwork[n-1];}
|
||||
doublereal rwork(int n) const { return m_rwork[n-1];}
|
||||
void setIwork(int n, integer m) { m_iwork[n-1] = m; }
|
||||
void setRwork(int n, doublereal v) { m_rwork[n-1] = v; }
|
||||
integer info(int n) { return m_info[n-1]; }
|
||||
void setInfo(int n, integer m) { m_info[n-1] = m; }
|
||||
integer iwork(int n) const { return m_iwork[n-1];}
|
||||
doublereal rwork(int n) const { return m_rwork[n-1];}
|
||||
void setIwork(int n, integer m) { m_iwork[n-1] = m; }
|
||||
void setRwork(int n, doublereal v) { m_rwork[n-1] = v; }
|
||||
integer info(int n) { return m_info[n-1]; }
|
||||
void setInfo(int n, integer m) { m_info[n-1] = m; }
|
||||
|
||||
void setTolerances(int nr, double* reltol, int na, double* abstol);
|
||||
void setTolerances(double reltol, double abstol);
|
||||
void setJacobian(Jacobian& jac);
|
||||
void setMethod(int methodType);
|
||||
void setMaxTime(doublereal tmax);
|
||||
void setMaxStepSize(doublereal dtmax);
|
||||
void setMaxOrder(int n);
|
||||
void setInitialIntStepSize(doublereal h0);
|
||||
void estimateInitial_Y_given_Yp();
|
||||
void estimateInitial_YaYp_given_Yd(const std::vector<int>& vartypes);
|
||||
void sizeRwork();
|
||||
void sizeIwork();
|
||||
int integrate(doublereal tout);
|
||||
void step(doublereal tout);
|
||||
int nEvals() const;
|
||||
int neq() { return m_resid.neq(); }
|
||||
void init(doublereal t0);
|
||||
void setTolerances(int nr, double* reltol, int na, double* abstol);
|
||||
void setTolerances(double reltol, double abstol);
|
||||
void setJacobian(Jacobian& jac);
|
||||
void setMethod(int methodType);
|
||||
void setMaxTime(doublereal tmax);
|
||||
void setMaxStepSize(doublereal dtmax);
|
||||
void setMaxOrder(int n);
|
||||
void setInitialIntStepSize(doublereal h0);
|
||||
void estimateInitial_Y_given_Yp();
|
||||
void estimateInitial_YaYp_given_Yd(const std::vector<int>& vartypes);
|
||||
void sizeRwork();
|
||||
void sizeIwork();
|
||||
int integrate(doublereal tout);
|
||||
void step(doublereal tout);
|
||||
int nEvals() const;
|
||||
int neq() { return m_resid.nEquations(); }
|
||||
void init(doublereal t0);
|
||||
|
||||
protected:
|
||||
protected:
|
||||
|
||||
ResidEval& m_resid;
|
||||
vector_int m_info;
|
||||
vector_int m_iwork;
|
||||
vector_int m_ipar;
|
||||
ResidEval& m_resid;
|
||||
vector_int m_info;
|
||||
vector_int m_iwork;
|
||||
vector_int m_ipar;
|
||||
|
||||
vector_fp m_rwork;
|
||||
vector_fp m_atol;
|
||||
vector_fp m_rtol;
|
||||
vector_fp m_rpar;
|
||||
vector_fp m_rwork;
|
||||
vector_fp m_atol;
|
||||
vector_fp m_rtol;
|
||||
vector_fp m_rpar;
|
||||
|
||||
integer m_idid;
|
||||
integer m_neq;
|
||||
integer m_lrw;
|
||||
integer m_liw;
|
||||
integer m_ml;
|
||||
integer m_mu;
|
||||
integer m_lenwp;
|
||||
integer m_idid;
|
||||
integer m_neq;
|
||||
integer m_lrw;
|
||||
integer m_liw;
|
||||
integer m_ml;
|
||||
integer m_mu;
|
||||
integer m_lenwp;
|
||||
|
||||
bool m_ok;
|
||||
bool m_init;
|
||||
doublereal m_time;
|
||||
};
|
||||
bool m_ok;
|
||||
bool m_init;
|
||||
doublereal m_time;
|
||||
};
|
||||
|
||||
}
|
||||
|
||||
|
||||
Reference in New Issue
Block a user