//# SpectralFit2.cc: Least Squares fitting of spectral elements: templated part //# Copyright (C) 2001,2002,2004 //# Associated Universities, Inc. Washington DC, USA. //# //# This library is free software; you can redistribute it and/or modify it //# under the terms of the GNU Library General Public License as published by //# the Free Software Foundation; either version 2 of the License, or (at your //# option) any later version. //# //# This library is distributed in the hope that it will be useful, but WITHOUT //# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or //# FITNESS FOR A PARTICULAR PURPOSE. See the GNU Library General Public //# License for more details. //# //# You should have received a copy of the GNU Library General Public License //# along with this library; if not, write to the Free Software Foundation, //# Inc., 675 Massachusetts Ave, Cambridge, MA 02139, USA. //# //# Correspondence concerning AIPS++ should be addressed as follows: //# Internet email: aips2-request@nrao.edu. //# Postal address: AIPS++ Project Office //# National Radio Astronomy Observatory //# 520 Edgemont Road //# Charlottesville, VA 22903-2475 USA //# //# $Id: SpectralFit2.tcc 19935 2007-02-27 05:07:40Z Malte.Marquarding $ //# Includes #include <components/SpectralComponents/SpectralFit.h> #include <components/SpectralComponents/CompiledSpectralElement.h> #include <components/SpectralComponents/GaussianSpectralElement.h> #include <components/SpectralComponents/LogTransformedPolynomialSpectralElement.h> #include <components/SpectralComponents/LorentzianSpectralElement.h> #include <components/SpectralComponents/PolynomialSpectralElement.h> #include <components/SpectralComponents/PowerLogPolynomialSpectralElement.h> #include <casacore/scimath/Fitting/NonLinearFitLM.h> #include <casacore/scimath/Functionals/CompiledFunction.h> #include <casacore/scimath/Functionals/CompoundFunction.h> #include <casacore/scimath/Functionals/CompoundParam.h> #include <casacore/scimath/Functionals/Gaussian1D.h> #include <casacore/scimath/Functionals/Lorentzian1D.h> #include <casacore/scimath/Functionals/Polynomial.h> #include <casacore/scimath/Functionals/PowerLogarithmicPolynomial.h> namespace casa { //# NAMESPACE CASA - BEGIN //# Templated member functions template <class MT> bool SpectralFit::fit(const casacore::Vector<MT> &y, const casacore::Vector<MT> &x, const casacore::Vector<casacore::Bool> *mask) { casacore::Vector<MT> sigma(x.nelements()); sigma = 1.0; return fit(sigma, y, x, mask); } template <class MT> bool SpectralFit::fit( const casacore::Vector<MT> &sigma, const casacore::Vector<MT> &y, const casacore::Vector<MT> &x, const casacore::Vector<casacore::Bool> *mask ) { casacore::NonLinearFitLM<MT> fitter; iter_p = 0; // The functions to fit casacore::CompoundFunction<casacore::AutoDiff<MT> > func; casacore::uInt ncomps = slist_p.nelements(); std::unique_ptr<casacore::Function<casacore::AutoDiff<MT> > > autodiff; for (casacore::uInt i=0; i<ncomps; i++) { SpectralElement *elem = slist_p[i]; casacore::uInt nparms = elem->getOrder(); SpectralElement::Types type = slist_p[i]->getType(); switch(type) { case SpectralElement::GAUSSIAN: { autodiff.reset(new casacore::Gaussian1D<casacore::AutoDiff<MT> >()); } break; case SpectralElement::POLYNOMIAL: { PolynomialSpectralElement *x = dynamic_cast<PolynomialSpectralElement *>(elem); autodiff.reset(new casacore::Polynomial<casacore::AutoDiff<MT> >(x->getDegree())); } break; case SpectralElement::COMPILED: // Allow fall through; these use the same code case SpectralElement::GMULTIPLET: { CompiledSpectralElement *x = dynamic_cast<CompiledSpectralElement *>(elem); autodiff.reset(new casacore::CompiledFunction<casacore::AutoDiff<MT> >()); dynamic_cast<casacore::CompiledFunction<casacore::AutoDiff<MT> > *>( autodiff.get() )->setFunction(x->getFunction()); } break; case SpectralElement::LORENTZIAN: { autodiff.reset(new casacore::Lorentzian1D<casacore::AutoDiff<MT> >()); } break; case SpectralElement::POWERLOGPOLY: { casacore::Vector<casacore::Double> parms = elem->get(); autodiff.reset(new casacore::PowerLogarithmicPolynomial<casacore::AutoDiff<MT> > (nparms)); } break; case SpectralElement::LOGTRANSPOLY: { LogTransformedPolynomialSpectralElement *x = dynamic_cast< LogTransformedPolynomialSpectralElement* >(elem); // treated as a polynomial for fitting purposes. The caller is responsible for passing the ln's of // the ordinate and obscissa values to the fitter. autodiff.reset(new casacore::Polynomial<casacore::AutoDiff<MT> > (x->getDegree())); } break; default: throw casacore::AipsError("SpectralFit::fit(): Logic Error: Unhandled SpectralElement type"); } casacore::Vector<casacore::Double> parms = elem->get(); casacore::Vector<casacore::Bool> fixed = elem->fixed(); for (casacore::uInt j=0; j<nparms; j++) { (*autodiff)[j] = casacore::AutoDiff<MT>(parms[j], nparms, j); if (j == PCFSpectralElement::WIDTH && type == SpectralElement::GAUSSIAN) { (*autodiff)[j] *= GaussianSpectralElement::SigmaToFWHM; } autodiff->mask(j) = ! fixed[j]; } func.addFunction(*autodiff); } fitter.setFunction(func); // Max. number of iterations fitter.setMaxIter(50+ ncomps*10); // Convergence criterium fitter.setCriteria(0.001); // Fit casacore::Vector<MT> sol; casacore::Vector<MT> err; sol = fitter.fit(x, y, sigma, mask); err = fitter.errors(); // Number of iterations iter_p = fitter.currentIteration(); chiSq_p = fitter.getChi2(); casacore::uInt j = 0; casacore::Vector<casacore::Double> tmp, terr; for (casacore::uInt i=0; i<ncomps; i++) { SpectralElement *element = slist_p[i]; casacore::uInt nparms = element->getOrder(); tmp.resize(nparms); terr.resize(nparms); SpectralElement::Types type = element->getType(); for (casacore::uInt k=0; k<nparms; k++) { casacore::Bool convertGaussWidth = k==PCFSpectralElement::WIDTH && type == SpectralElement::GAUSSIAN; tmp(k) = convertGaussWidth ? sol(j) / GaussianSpectralElement::SigmaToFWHM : sol(j); terr(k) = convertGaussWidth ? err(j) / GaussianSpectralElement::SigmaToFWHM : err(j); j++; }; element->set(tmp); element->setError(terr); } return fitter.converged(); } } //# NAMESPACE CASA - END