Method testNonLinearHahn1

tests/analysis/fit/FitTest.cpp:2633–2704

// more tests

void FitTest::testNonLinearHahn1() {
	Spreadsheet spreadsheet(QStringLiteral("test"), false);
	AsciiFilter filter;

	// NIST data for Hahn1 dataset
	const QString& fileName = QFINDTESTDATA(QLatin1String("data/NIST/non-linear/Hahn1_data.dat"));

	auto properties = filter.properties();
	properties.headerEnabled = false;
	properties.simplifyWhitespaces = true;
	properties.skipEmptyParts = true;
	filter.setProperties(properties);
	filter.readDataFromFile(fileName, &spreadsheet, AbstractFileFilter::ImportMode::Replace);

	QCOMPARE(spreadsheet.rowCount(), 236);
	QCOMPARE(spreadsheet.columnCount(), 2);

	XYFitCurve fitCurve(QStringLiteral("fit"));
	fitCurve.setXDataColumn(spreadsheet.column(1));
	fitCurve.setYDataColumn(spreadsheet.column(0));

	// prepare the fit
	XYFitCurve::FitData fitData = fitCurve.fitData();
	fitData.modelCategory = nsl_fit_model_custom;
	XYFitCurve::initFitData(fitData);
	fitData.model = QStringLiteral("(b1+b2*x+b3*x^2+b4*x^3) / (1+b5*x+b6*x^2+b7*x^3)");
	fitData.paramNames << QStringLiteral("b1") << QStringLiteral("b2") << QStringLiteral("b3") << QStringLiteral("b4") << QStringLiteral("b5")
					   << QStringLiteral("b6") << QStringLiteral("b7");
	fitData.eps = 1.e-8;
	const int np = fitData.paramNames.size();
	// first set of start values
	fitData.paramStartValues << 10. << -1. << 0.05 << -0.00001 << -0.05 << 0.001 << -0.000001;
	for (int i = 0; i < np; i++) {
		fitData.paramLowerLimits << -std::numeric_limits<double>::max();
		fitData.paramUpperLimits << std::numeric_limits<double>::max();
	}
	fitCurve.setFitData(fitData);

	// perform the fit
	fitCurve.recalculate();
	const XYFitCurve::FitResult& fitResult = fitCurve.fitResult();

	// check the results
	QCOMPARE(fitResult.available, true);
	QCOMPARE(fitResult.valid, true);

	QCOMPARE(np, 7);

	printAndCheck(fitResult.paramValues.at(0), 1.0776351733E+00, 1.e-2);
	printAndCheck(fitResult.errorValues.at(0), 1.7070154742E-01, 2.e-2);

	printAndCheck(fitResult.paramValues.at(1), -1.2269296921E-01, 1.e-2);
	printAndCheck(fitResult.errorValues.at(1), 1.2000289189E-02, 2.e-2);

	printAndCheck(fitResult.paramValues.at(2), 4.0863750610E-03, 2.e-3);
	printAndCheck(fitResult.errorValues.at(2), 2.2508314937E-04, 1.e-3);

	printAndCheck(fitResult.paramValues.at(3), -1.4262662514E-06, 1.e-3);