Exemplo n.º 1
0
void SaveDiffFittingAscii::writeData(const API::ITableWorkspace_sptr workspace,
                                     std::ofstream &file,
                                     const size_t columnSize) {

  for (size_t rowIndex = 0; rowIndex < workspace->rowCount(); ++rowIndex) {
    TableRow row = workspace->getRow(rowIndex);
    for (size_t columnIndex = 0; columnIndex < columnSize; columnIndex++) {

      const auto row_str =
          boost::lexical_cast<std::string>(row.Double(columnIndex));
      g_log.debug() << row_str << std::endl;

      if (columnIndex == columnSize - 1)
        writeVal(row_str, file, true);
      else
        writeVal(row_str, file, false);
    }
  }
}
Exemplo n.º 2
0
int PoldiFitPeaks1D2::getBestChebyshevPolynomialDegree(
    const Workspace2D_sptr &dataWorkspace, const RefinedRange_sptr &range) {
  double chiSquareMin = 1e10;
  int nMin = -1;

  try {
    int n = 0;

    while ((n < 3)) {
      IAlgorithm_sptr fit = getFitAlgorithm(dataWorkspace, range, n);
      bool fitSuccess = fit->execute();

      if (fitSuccess) {
        ITableWorkspace_sptr fitCharacteristics =
            fit->getProperty("OutputParameters");
        TableRow row =
            fitCharacteristics->getRow(fitCharacteristics->rowCount() - 1);

        double chiSquare = row.Double(1);

        if (fabs(chiSquare - 1) < fabs(chiSquareMin - 1)) {
          chiSquareMin = chiSquare;
          nMin = n;
        }
      }

      ++n;
    }
  } catch (std::runtime_error) {
    nMin = -1;
  }

  if (nMin == -1) {
    g_log.information() << "Range [" << range->getXStart() << " - "
                        << range->getXEnd() << "] is excluded.";
  } else {
    g_log.information() << "Chi^2 for range [" << range->getXStart() << " - "
                        << range->getXEnd() << "] is minimal at n = " << nMin
                        << " with Chi^2 = " << chiSquareMin << std::endl;
  }

  return nMin;
}