Method testNonLinearBennett5_2

tests/analysis/fit/FitTest.cpp:2914–2973

}

void FitTest::testNonLinearBennett5_2() {
	Spreadsheet spreadsheet(QStringLiteral("test"), false);
	AsciiFilter filter;

	// NIST data for Hahn1 dataset
	const QString& fileName = QFINDTESTDATA(QLatin1String("data/NIST/non-linear/Bennett5_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(), 154);
	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)^(-1./b3)");
	fitData.paramNames << QStringLiteral("b1") << QStringLiteral("b2") << QStringLiteral("b3");
	fitData.eps = 1.e-8;
	fitData.maxIterations = 1000;
	const int np = fitData.paramNames.size();
	// second set of start values
	fitData.paramStartValues << -1500. << 45. << 0.85;
	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, 3);

	printAndCheck(fitResult.paramValues.at(0), -2.5235058043E+03, 2.e-2);
	printAndCheck(fitResult.errorValues.at(0), 2.9715175411E+02, 2.e-2);

	printAndCheck(fitResult.paramValues.at(1), 4.6736564644E+01, 5.e-3);
	printAndCheck(fitResult.errorValues.at(1), 1.2448871856E+00, 2.e-2);

	printAndCheck(fitResult.paramValues.at(2), 9.3218483193E-01, 3.e-3);
	printAndCheck(fitResult.errorValues.at(2), 2.0272299378E-02, 1.e-2);

	printAndCheck(fitResult.rsd, 1.8629312528E-03, 1.e-4);