593 lines
17 KiB
C++
593 lines
17 KiB
C++
/**
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* @file Sim1D.cpp
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*/
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#include "cantera/oneD/Sim1D.h"
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#include "cantera/oneD/MultiJac.h"
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#include <fstream>
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using namespace std;
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namespace Cantera
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{
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static void sim1D_drawline()
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{
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string s(78,'.');
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s += '\n';
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writelog(s.c_str());
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}
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Sim1D::Sim1D() :
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OneDim()
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{
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//writelog("Sim1D default constructor\n");
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}
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Sim1D::Sim1D(vector<Domain1D*>& domains) :
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OneDim(domains)
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{
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// resize the internal solution vector and the work array, and perform
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// domain-specific initialization of the solution vector.
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m_x.resize(size(), 0.0);
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m_xnew.resize(size(), 0.0);
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for (size_t n = 0; n < m_nd; n++) {
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domain(n)._getInitialSoln(DATA_PTR(m_x) + start(n));
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domain(n).m_adiabatic=false;
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}
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// set some defaults
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m_tstep = 1.0e-5;
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//m_maxtimestep = 10.0;
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m_steps.push_back(1);
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m_steps.push_back(2);
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m_steps.push_back(5);
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m_steps.push_back(10);
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}
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void Sim1D::setInitialGuess(const std::string& component, vector_fp& locs, vector_fp& vals)
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{
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for (size_t dom=0; dom<m_nd; dom++) {
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Domain1D& d = domain(dom);
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size_t ncomp = d.nComponents();
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for (size_t comp=0; comp<ncomp; comp++) {
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if (d.componentName(comp)==component) {
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setProfile(dom,comp,locs,vals);
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}
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}
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}
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}
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void Sim1D::setValue(size_t dom, size_t comp, size_t localPoint, doublereal value)
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{
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size_t iloc = domain(dom).loc() + domain(dom).index(comp, localPoint);
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AssertThrowMsg(iloc < m_x.size(), "Sim1D::setValue",
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"Index out of bounds:" + int2str(iloc) + " > " +
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int2str(m_x.size()));
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m_x[iloc] = value;
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}
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doublereal Sim1D::value(size_t dom, size_t comp, size_t localPoint) const
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{
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size_t iloc = domain(dom).loc() + domain(dom).index(comp, localPoint);
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AssertThrowMsg(iloc < m_x.size(), "Sim1D::value",
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"Index out of bounds:" + int2str(iloc) + " > " +
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int2str(m_x.size()));
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return m_x[iloc];
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}
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doublereal Sim1D::workValue(size_t dom, size_t comp, size_t localPoint) const
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{
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size_t iloc = domain(dom).loc() + domain(dom).index(comp, localPoint);
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AssertThrowMsg(iloc < m_x.size(), "Sim1D::workValue",
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"Index out of bounds:" + int2str(iloc) + " > " +
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int2str(m_x.size()));
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return m_xnew[iloc];
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}
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void Sim1D::setProfile(size_t dom, size_t comp,
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const vector_fp& pos, const vector_fp& values)
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{
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Domain1D& d = domain(dom);
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doublereal z0 = d.zmin();
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doublereal z1 = d.zmax();
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doublereal zpt, frac, v;
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for (size_t n = 0; n < d.nPoints(); n++) {
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zpt = d.z(n);
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frac = (zpt - z0)/(z1 - z0);
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v = linearInterp(frac, pos, values);
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setValue(dom, comp, n, v);
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}
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}
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void Sim1D::save(const std::string& fname, const std::string& id,
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const std::string& desc, int loglevel)
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{
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OneDim::save(fname, id, desc, DATA_PTR(m_x), loglevel);
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}
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void Sim1D::saveResidual(const std::string& fname, const std::string& id,
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const std::string& desc, int loglevel)
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{
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vector_fp res(m_x.size(), -999);
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OneDim::eval(npos, &m_x[0], &res[0], 0.0);
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OneDim::save(fname, id, desc, &res[0], loglevel);
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}
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void Sim1D::restore(const std::string& fname, const std::string& id,
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int loglevel)
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{
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ifstream s(fname.c_str());
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if (!s)
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throw CanteraError("Sim1D::restore",
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"could not open input file "+fname);
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XML_Node root;
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root.build(s);
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s.close();
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XML_Node* f = root.findID(id);
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if (!f) {
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throw CanteraError("Sim1D::restore","No solution with id = "+id);
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}
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vector<XML_Node*> xd;
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f->getChildren("domain", xd);
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if (xd.size() != m_nd) {
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throw CanteraError("Sim1D::restore", "Solution does not contain the "
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" correct number of domains. Found " +
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int2str(xd.size()) + "expected " +
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int2str(m_nd) + ".\n");
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}
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size_t sz = 0;
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for (size_t m = 0; m < m_nd; m++) {
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if (loglevel > 0 && xd[m]->attrib("id") != domain(m).id()) {
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writelog("Warning: domain names do not match: '" +
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(*xd[m])["id"] + + "' and '" + domain(m).id() + "'\n");
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}
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sz += domain(m).nComponents() * intValue((*xd[m])["points"]);
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}
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m_x.resize(sz);
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m_xnew.resize(sz);
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for (size_t m = 0; m < m_nd; m++) {
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domain(m).restore(*xd[m], DATA_PTR(m_x) + domain(m).loc(), loglevel);
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}
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resize();
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finalize();
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}
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void Sim1D::setFlatProfile(size_t dom, size_t comp, doublereal v)
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{
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size_t np = domain(dom).nPoints();
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size_t n;
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for (n = 0; n < np; n++) {
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setValue(dom, comp, n, v);
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}
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}
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void Sim1D::showSolution(ostream& s)
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{
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for (size_t n = 0; n < m_nd; n++) {
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if (domain(n).domainType() != cEmptyType) {
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domain(n).showSolution_s(s, DATA_PTR(m_x) + start(n));
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}
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}
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}
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void Sim1D::showSolution()
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{
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for (size_t n = 0; n < m_nd; n++) {
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if (domain(n).domainType() != cEmptyType) {
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writelog("\n\n>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> "+domain(n).id()
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+" <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<\n\n");
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domain(n).showSolution(DATA_PTR(m_x) + start(n));
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}
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}
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}
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void Sim1D::getInitialSoln()
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{
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for (size_t n = 0; n < m_nd; n++) {
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domain(n)._getInitialSoln(DATA_PTR(m_x) + start(n));
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}
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}
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void Sim1D::finalize()
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{
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for (size_t n = 0; n < m_nd; n++) {
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domain(n)._finalize(DATA_PTR(m_x) + start(n));
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}
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}
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void Sim1D::setTimeStep(doublereal stepsize, size_t n, integer* tsteps)
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{
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m_tstep = stepsize;
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m_steps.resize(n);
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for (size_t i = 0; i < n; i++) {
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m_steps[i] = tsteps[i];
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}
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}
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int Sim1D::newtonSolve(int loglevel)
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{
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int m = OneDim::solve(DATA_PTR(m_x), DATA_PTR(m_xnew), loglevel);
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if (m >= 0) {
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copy(m_xnew.begin(), m_xnew.end(), m_x.begin());
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return 0;
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} else if (m > -10) {
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return -1;
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} else {
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throw CanteraError("Sim1D::newtonSolve",
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"ERROR: OneDim::solve returned m = " + int2str(m) + "\n");
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}
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}
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void Sim1D::solve(int loglevel, bool refine_grid)
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{
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int new_points = 1;
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int nsteps;
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doublereal dt = m_tstep;
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int soln_number = -1;
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finalize();
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while (new_points > 0) {
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size_t istep = 0;
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nsteps = m_steps[istep];
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bool ok = false;
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if (loglevel > 0) {
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writelog("\n");
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sim1D_drawline();
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}
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while (!ok) {
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writelog("Attempt Newton solution of steady-state problem...", loglevel);
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int status = newtonSolve(loglevel-1);
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if (status == 0) {
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if (loglevel > 0) {
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writelog(" success.\n\n");
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writelog("Problem solved on [");
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for (size_t mm = 1; mm < nDomains(); mm+=2) {
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writelog(int2str(domain(mm).nPoints()));
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if (mm + 2 < nDomains()) {
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writelog(", ");
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}
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}
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writelog("] point grid(s).\n");
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}
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if (loglevel > 6) {
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save("debug_sim1d.xml", "debug",
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"After successful Newton solve");
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}
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if (loglevel > 7) {
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saveResidual("debug_sim1d.xml", "residual",
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"After successful Newton solve");
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}
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ok = true;
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soln_number++;
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} else {
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char buf[100];
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writelog(" failure. \n", loglevel);
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if (loglevel > 6) {
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save("debug_sim1d.xml", "debug",
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"After unsuccessful Newton solve");
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}
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if (loglevel > 7) {
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saveResidual("debug_sim1d.xml", "residual",
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"After unsuccessful Newton solve");
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}
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writelog("Take "+int2str(nsteps)+" timesteps ", loglevel);
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dt = timeStep(nsteps, dt, DATA_PTR(m_x), DATA_PTR(m_xnew),
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loglevel-1);
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if (loglevel > 6) {
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save("debug_sim1d.xml", "debug", "After timestepping");
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}
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if (loglevel > 7) {
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saveResidual("debug_sim1d.xml", "residual",
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"After timestepping");
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}
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if (loglevel == 1) {
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sprintf(buf, " %10.4g %10.4g \n", dt,
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log10(ssnorm(DATA_PTR(m_x), DATA_PTR(m_xnew))));
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writelog(buf);
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}
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istep++;
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if (istep >= m_steps.size()) {
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nsteps = m_steps.back();
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} else {
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nsteps = m_steps[istep];
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}
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if (dt > m_tmax) {
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dt = m_tmax;
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}
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}
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}
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if (loglevel > 0) {
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sim1D_drawline();
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writelog("\n");
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}
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if (loglevel > 2) {
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showSolution();
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}
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if (refine_grid) {
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new_points = refine(loglevel);
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if (new_points) {
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// If the grid has changed, preemptively reduce the timestep
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// to avoid multiple successive failed time steps.
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dt = m_tstep;
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}
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if (new_points && loglevel > 6) {
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save("debug_sim1d.xml", "debug", "After regridding");
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}
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if (new_points && loglevel > 7) {
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saveResidual("debug_sim1d.xml", "residual",
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"After regridding");
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}
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if (new_points < 0) {
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writelog("Maximum number of grid points reached.");
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new_points = 0;
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}
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} else {
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writelog("grid refinement disabled.\n", loglevel);
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new_points = 0;
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}
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}
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}
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int Sim1D::refine(int loglevel)
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{
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int ianalyze, np = 0;
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vector_fp znew, xnew;
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doublereal xmid, zmid;
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std::vector<size_t> dsize;
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for (size_t n = 0; n < m_nd; n++) {
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Domain1D& d = domain(n);
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Refiner& r = d.refiner();
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// determine where new points are needed
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ianalyze = r.analyze(d.grid().size(),
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DATA_PTR(d.grid()), DATA_PTR(m_x) + start(n));
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if (ianalyze < 0) {
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return ianalyze;
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}
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if (loglevel > 0) {
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r.show();
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}
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np += r.nNewPoints();
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size_t comp = d.nComponents();
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// loop over points in the current grid
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size_t npnow = d.nPoints();
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size_t nstart = znew.size();
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for (size_t m = 0; m < npnow; m++) {
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if (r.keepPoint(m)) {
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// add the current grid point to the new grid
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znew.push_back(d.grid(m));
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// do the same for the solution at this point
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for (size_t i = 0; i < comp; i++) {
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xnew.push_back(value(n, i, m));
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}
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// now check whether a new point is needed in the
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// interval to the right of point m, and if so, add
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// entries to znew and xnew for this new point
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if (r.newPointNeeded(m) && m + 1 < npnow) {
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// add new point at midpoint
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zmid = 0.5*(d.grid(m) + d.grid(m+1));
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znew.push_back(zmid);
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np++;
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//writelog(string("refine: adding point at ")+fp2str(zmid)+"\n");
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// for each component, linearly interpolate
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// the solution to this point
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for (size_t i = 0; i < comp; i++) {
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xmid = 0.5*(value(n, i, m) + value(n, i, m+1));
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xnew.push_back(xmid);
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}
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}
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} else {
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writelog("refine: discarding point at "+fp2str(d.grid(m))+"\n", loglevel);
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}
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}
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dsize.push_back(znew.size() - nstart);
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}
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// At this point, the new grid znew and the new solution
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// vector xnew have been constructed, but the domains
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// themselves have not yet been modified. Now update each
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// domain with the new grid.
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size_t gridstart = 0, gridsize;
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for (size_t n = 0; n < m_nd; n++) {
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Domain1D& d = domain(n);
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// Refiner& r = d.refiner();
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gridsize = dsize[n]; // d.nPoints() + r.nNewPoints();
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d.setupGrid(gridsize, DATA_PTR(znew) + gridstart);
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gridstart += gridsize;
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}
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// Replace the current solution vector with the new one
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m_x.resize(xnew.size());
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copy(xnew.begin(), xnew.end(), m_x.begin());
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// resize the work array
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m_xnew.resize(xnew.size());
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// copy(xnew.begin(), xnew.end(), m_xnew.begin());
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resize();
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finalize();
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return np;
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}
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int Sim1D::setFixedTemperature(doublereal t)
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{
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int np = 0;
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vector_fp znew, xnew;
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doublereal xmid;
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doublereal zfixed,interp_factor;
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doublereal z1 = 0.0, z2 = 0.0, t1,t2;
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size_t n, m, i;
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size_t m1 = 0;
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std::vector<size_t> dsize;
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for (n = 0; n < m_nd; n++) {
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bool addnewpt=false;
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Domain1D& d = domain(n);
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size_t comp = d.nComponents();
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// loop over points in the current grid to determine where new point is needed.
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size_t npnow = d.nPoints();
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size_t nstart = znew.size();
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for (m = 0; m < npnow-1; m++) {
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if (value(n,2,m) == t) {
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zfixed = d.grid(m);
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//set d.zfixed, d.ztemp
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d.m_zfixed = zfixed;
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d.m_tfixed = t;
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addnewpt = false;
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break;
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} else if ((value(n,2,m)<t) && (value(n,2,m+1)>t)) {
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z1 = d.grid(m);
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m1 = m;
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z2 = d.grid(m+1);
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t1 = value(n,2,m);
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t2 = value(n,2,m+1);
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zfixed = (z1-z2)/(t1-t2)*(t-t2)+z2;
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//set d.zfixed, d.ztemp;
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d.m_zfixed = zfixed;
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d.m_tfixed = t;
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addnewpt = true;
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break;
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//copy solution domain and push back values
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}
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}
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for (m = 0; m < npnow; m++) {
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// add the current grid point to the new grid
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znew.push_back(d.grid(m));
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// do the same for the solution at this point
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for (i = 0; i < comp; i++) {
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xnew.push_back(value(n, i, m));
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}
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if (m==m1 && addnewpt) {
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//add new point at zfixed
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znew.push_back(zfixed);
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np++;
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interp_factor = (zfixed-z2) / (z1-z2);
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// for each component, linearly interpolate
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// the solution to this point
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for (i = 0; i < comp; i++) {
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xmid = interp_factor*(value(n, i, m) - value(n, i, m+1)) + value(n,i,m+1);
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xnew.push_back(xmid);
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}
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}
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}
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dsize.push_back(znew.size() - nstart);
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}
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// At this point, the new grid znew and the new solution
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|
// vector xnew have been constructed, but the domains
|
|
// themselves have not yet been modified. Now update each
|
|
// domain with the new grid.
|
|
|
|
size_t gridstart = 0, gridsize;
|
|
for (n = 0; n < m_nd; n++) {
|
|
Domain1D& d = domain(n);
|
|
// Refiner& r = d.refiner();
|
|
gridsize = dsize[n]; // d.nPoints() + r.nNewPoints();
|
|
d.setupGrid(gridsize, DATA_PTR(znew) + gridstart);
|
|
gridstart += gridsize;
|
|
}
|
|
|
|
// Replace the current solution vector with the new one
|
|
m_x.resize(xnew.size());
|
|
copy(xnew.begin(), xnew.end(), m_x.begin());
|
|
|
|
// resize the work array
|
|
m_xnew.resize(xnew.size());
|
|
|
|
copy(xnew.begin(), xnew.end(), m_xnew.begin());
|
|
|
|
resize();
|
|
finalize();
|
|
return np;
|
|
}
|
|
|
|
void Sim1D::setAdiabaticFlame(void)
|
|
{
|
|
for (size_t n = 0; n < m_nd; n++) {
|
|
Domain1D& d = domain(n);
|
|
d.m_adiabatic=true;
|
|
}
|
|
}
|
|
|
|
void Sim1D::setRefineCriteria(int dom, doublereal ratio,
|
|
doublereal slope, doublereal curve, doublereal prune)
|
|
{
|
|
if (dom >= 0) {
|
|
Refiner& r = domain(dom).refiner();
|
|
r.setCriteria(ratio, slope, curve, prune);
|
|
} else {
|
|
for (size_t n = 0; n < m_nd; n++) {
|
|
Refiner& r = domain(n).refiner();
|
|
r.setCriteria(ratio, slope, curve, prune);
|
|
}
|
|
}
|
|
}
|
|
|
|
void Sim1D::setGridMin(int dom, double gridmin)
|
|
{
|
|
if (dom >= 0) {
|
|
Refiner& r = domain(dom).refiner();
|
|
r.setGridMin(gridmin);
|
|
} else {
|
|
for (size_t n = 0; n < m_nd; n++) {
|
|
Refiner& r = domain(n).refiner();
|
|
r.setGridMin(gridmin);
|
|
}
|
|
}
|
|
}
|
|
|
|
void Sim1D::setMaxGridPoints(int dom, int npoints)
|
|
{
|
|
if (dom >= 0) {
|
|
Refiner& r = domain(dom).refiner();
|
|
r.setMaxPoints(npoints);
|
|
} else {
|
|
for (size_t n = 0; n < m_nd; n++) {
|
|
Refiner& r = domain(n).refiner();
|
|
r.setMaxPoints(npoints);
|
|
}
|
|
}
|
|
}
|
|
|
|
doublereal Sim1D::jacobian(int i, int j)
|
|
{
|
|
return OneDim::jacobian().value(i,j);
|
|
}
|
|
|
|
void Sim1D::evalSSJacobian()
|
|
{
|
|
OneDim::evalSSJacobian(DATA_PTR(m_x), DATA_PTR(m_xnew));
|
|
}
|
|
}
|