C++ MatrixWorkspace_sptr::x方法代码示例

/** Create the final output workspace after converting the X axis
* @returns the final output workspace
*
* @param progress :: Progress indicator
* @param targetUnit :: Target conversion unit
* @param inputWS :: Input workspace
* @param nHist :: Stores the number of histograms
*/
MatrixWorkspace_sptr ConvertSpectrumAxis2::createOutputWorkspace(
    API::Progress &progress, const std::string &targetUnit,
    API::MatrixWorkspace_sptr &inputWS, size_t nHist) {
  // Create the output workspace. Can not re-use the input one because the
  // spectra are re-ordered.
  MatrixWorkspace_sptr outputWorkspace = WorkspaceFactory::Instance().create(
      inputWS, m_indexMap.size(), inputWS->x(0).size(), inputWS->y(0).size());

  // Now set up a new numeric axis holding the theta values corresponding to
  // each spectrum.
  auto const newAxis = new NumericAxis(m_indexMap.size());
  outputWorkspace->replaceAxis(1, newAxis);

  progress.setNumSteps(nHist + m_indexMap.size());

  // Set the units of the axis.
  if (targetUnit == "theta" || targetUnit == "Theta" ||
      targetUnit == "signed_theta" || targetUnit == "SignedTheta") {
    newAxis->unit() = boost::make_shared<Units::Degrees>();
  } else if (targetUnit == "ElasticQ") {
    newAxis->unit() = UnitFactory::Instance().create("MomentumTransfer");
  } else if (targetUnit == "ElasticQSquared") {
    newAxis->unit() = UnitFactory::Instance().create("QSquared");
  }

  std::multimap<double, size_t>::const_iterator it;
  size_t currentIndex = 0;
  for (it = m_indexMap.begin(); it != m_indexMap.end(); ++it) {
    // Set the axis value.
    newAxis->setValue(currentIndex, it->first);
    // Copy over the data.
    outputWorkspace->setHistogram(currentIndex, inputWS->histogram(it->second));
    // We can keep the spectrum numbers etc.
    outputWorkspace->getSpectrum(currentIndex)
        .copyInfoFrom(inputWS->getSpectrum(it->second));
    ++currentIndex;

    progress.report("Creating output workspace...");
  }
  return outputWorkspace;
}

/** Generate peaks in the given output workspace
  * @param functionmap :: map to contain the list of functions with key as their
 * spectra
  * @param dataWS :: output matrix workspace
  */
void GeneratePeaks::generatePeaks(
    const std::map<specnum_t,
                   std::vector<std::pair<double, API::IFunction_sptr>>> &
        functionmap,
    API::MatrixWorkspace_sptr dataWS) {
  // Calcualte function
  std::map<specnum_t,
           std::vector<std::pair<double, API::IFunction_sptr>>>::const_iterator
      mapiter;
  for (mapiter = functionmap.begin(); mapiter != functionmap.end(); ++mapiter) {
    // Get spec id and translated to wsindex in the output workspace
    specnum_t specid = mapiter->first;
    specnum_t wsindex;
    if (m_newWSFromParent)
      wsindex = specid;
    else
      wsindex = m_SpectrumMap[specid];

    const std::vector<std::pair<double, API::IFunction_sptr>> &vec_centrefunc =
        mapiter->second;
    size_t numpeaksinspec = mapiter->second.size();

    for (size_t ipeak = 0; ipeak < numpeaksinspec; ++ipeak) {
      const std::pair<double, API::IFunction_sptr> &centrefunc =
          vec_centrefunc[ipeak];

      // Determine boundary
      API::IPeakFunction_sptr thispeak = getPeakFunction(centrefunc.second);
      double centre = centrefunc.first;
      double fwhm = thispeak->fwhm();

      //
      const auto &X = dataWS->x(wsindex);
      double leftbound = centre - m_numPeakWidth * fwhm;
      if (ipeak > 0) {
        // Not left most peak.
        API::IPeakFunction_sptr leftPeak =
            getPeakFunction(vec_centrefunc[ipeak - 1].second);

        double middle = 0.5 * (centre + leftPeak->centre());
        if (leftbound < middle)
          leftbound = middle;
      }
      auto left = std::lower_bound(X.cbegin(), X.cend(), leftbound);
      if (left == X.end())
        left = X.begin();

      double rightbound = centre + m_numPeakWidth * fwhm;
      if (ipeak != numpeaksinspec - 1) {
        // Not the rightmost peak
        IPeakFunction_sptr rightPeak =
            getPeakFunction(vec_centrefunc[ipeak + 1].second);
        double middle = 0.5 * (centre + rightPeak->centre());
        if (rightbound > middle)
          rightbound = middle;
      }
      auto right = std::lower_bound(left + 1, X.cend(), rightbound);

      // Build domain & function
      API::FunctionDomain1DVector domain(left,
                                         right); // dataWS->dataX(wsindex));

      // Evaluate the function
      API::FunctionValues values(domain);
      centrefunc.second->function(domain, values);

      // Put to output
      std::size_t offset = (left - X.begin());
      std::size_t numY = values.size();

      auto &dataY = dataWS->mutableY(wsindex);
      for (std::size_t i = 0; i < numY; i++) {
        dataY[i + offset] += values[i];
      }

    } // ENDFOR(ipeak)
  }
}

/**Executes the main part of the algorithm that handles the conversion of the
* units
* @param inputWS :: the input workspace that will be converted
* @throw std::runtime_error :: If the workspace has invalid X axis binning
* @return A pointer to a MatrixWorkspace_sptr that contains the converted units
*/
MatrixWorkspace_sptr
ConvertUnits::executeUnitConversion(const API::MatrixWorkspace_sptr inputWS) {

  // A WS holding BinEdges cannot have less than 2 values, as a bin has
  // 2 edges, having less than 2 values would mean that the WS contains Points
  if (inputWS->x(0).size() < 2) {
    std::stringstream msg;
    msg << "Input workspace has invalid X axis binning parameters. Should "
           "have "
           "at least 2 values. Found " << inputWS->x(0).size() << ".";
    throw std::runtime_error(msg.str());
  }
  if (inputWS->x(0).front() > inputWS->x(0).back() ||
      inputWS->x(m_numberOfSpectra / 2).front() >
          inputWS->x(m_numberOfSpectra / 2).back())
    throw std::runtime_error("Input workspace has invalid X axis binning "
                             "parameters. X values should be increasing.");

  MatrixWorkspace_sptr outputWS;
  // Check whether there is a quick conversion available
  double factor, power;
  if (m_inputUnit->quickConversion(*m_outputUnit, factor, power))
  // If test fails, could also check whether a quick conversion in the
  // opposite
  // direction has been entered
  {
    outputWS = this->convertQuickly(inputWS, factor, power);
  } else {
    outputWS = this->convertViaTOF(m_inputUnit, inputWS);
  }

  // If the units conversion has flipped the ascending direction of X, reverse
  // all the vectors
  if (!outputWS->x(0).empty() &&
      (outputWS->x(0).front() > outputWS->x(0).back() ||
       outputWS->x(m_numberOfSpectra / 2).front() >
           outputWS->x(m_numberOfSpectra / 2).back())) {
    this->reverse(outputWS);
  }

  // Need to lop bins off if converting to energy transfer.
  // Don't do for EventWorkspaces, where you can easily rebin to recover the
  // situation without losing information
  /* This is an ugly test - could be made more general by testing for DBL_MAX
  values at the ends of all spectra, but that would be less efficient */
  if (m_outputUnit->unitID().find("Delta") == 0 && !m_inputEvents)
    outputWS = this->removeUnphysicalBins(outputWS);

  // Rebin the data to common bins if requested, and if necessary
  bool alignBins = getProperty("AlignBins");
  if (alignBins && !WorkspaceHelpers::commonBoundaries(outputWS))
    outputWS = this->alignBins(outputWS);

  // If appropriate, put back the bin width division into Y/E.
  if (m_distribution && !m_inputEvents) // Never do this for event workspaces
  {
    this->putBackBinWidth(outputWS);
  }

  return outputWS;
}

/** Forms the quadrature phase signal (squashogram)
* @param ws :: [input] workspace containing the measured spectra
* @param phase :: [input] table workspace containing the detector phases
* @param n0 :: [input] vector containing the normalization constants
* @return :: workspace containing the quadrature phase signal
*/
API::MatrixWorkspace_sptr
PhaseQuadMuon::squash(const API::MatrixWorkspace_sptr &ws,
                      const API::ITableWorkspace_sptr &phase,
                      const std::vector<double> &n0) {

  // Poisson limit: below this number we consider we don't have enough
  // statistics
  // to apply sqrt(N). This is an arbitrary number used in the original code
  // provided by scientists
  double poissonLimit = 30.;

  size_t nspec = ws->getNumberHistograms();
  size_t npoints = ws->blocksize();

  // Muon life time in microseconds
  double muLife = PhysicalConstants::MuonLifetime * 1e6;

  if (n0.size() != nspec) {
    throw std::invalid_argument("Invalid normalization constants");
  }

  // Get the maximum asymmetry
  double maxAsym = 0.;
  for (size_t h = 0; h < nspec; h++) {
    if (phase->Double(h, 1) > maxAsym) {
      maxAsym = phase->Double(h, 1);
    }
  }
  if (maxAsym == 0.0) {
    throw std::invalid_argument("Invalid detector asymmetries");
  }

  std::vector<double> aj, bj;
  {
    // Calculate coefficients aj, bj

    double sxx = 0;
    double syy = 0;
    double sxy = 0;

    for (size_t h = 0; h < nspec; h++) {
      double asym = phase->Double(h, 1) / maxAsym;
      double phi = phase->Double(h, 2);
      double X = n0[h] * asym * cos(phi);
      double Y = n0[h] * asym * sin(phi);
      sxx += X * X;
      syy += Y * Y;
      sxy += X * Y;
    }

    double lam1 = 2 * syy / (sxx * syy - sxy * sxy);
    double mu1 = 2 * sxy / (sxy * sxy - sxx * syy);
    double lam2 = 2 * sxy / (sxy * sxy - sxx * syy);
    double mu2 = 2 * sxx / (sxx * syy - sxy * sxy);
    for (size_t h = 0; h < nspec; h++) {
      double asym = phase->Double(h, 1) / maxAsym;
      double phi = phase->Double(h, 2);
      double X = n0[h] * asym * cos(phi);
      double Y = n0[h] * asym * sin(phi);
      aj.push_back((lam1 * X + mu1 * Y) * 0.5);
      bj.push_back((lam2 * X + mu2 * Y) * 0.5);
    }
  }

  // First X value
  double X0 = ws->x(0).front();

  // Create and populate output workspace
  API::MatrixWorkspace_sptr ows = API::WorkspaceFactory::Instance().create(
      "Workspace2D", 2, npoints + 1, npoints);

  // X
  ows->setSharedX(0, ws->sharedX(0));
  ows->setSharedX(1, ws->sharedX(0));

  // Phase quadrature
  auto &realY = ows->mutableY(0);
  auto &imagY = ows->mutableY(1);
  auto &realE = ows->mutableE(0);
  auto &imagE = ows->mutableE(1);

  for (size_t i = 0; i < npoints; i++) {
    for (size_t h = 0; h < nspec; h++) {

      // (X,Y,E) with exponential decay removed
      const double X = ws->x(h)[i];
      const double Y = ws->y(h)[i] - n0[h] * exp(-(X - X0) / muLife);
      const double E = (ws->y(h)[i] > poissonLimit)
                           ? ws->e(h)[i]
                           : sqrt(n0[h] * exp(-(X - X0) / muLife));

      realY[i] += aj[h] * Y;
      imagY[i] += bj[h] * Y;
      realE[i] += aj[h] * aj[h] * E * E;
//.........这里部分代码省略.........

/** Forms the quadrature phase signal (squashogram)
 * @param ws :: [input] workspace containing the measured spectra
 * @param phase :: [input] table workspace containing the detector phases
 * @param n0 :: [input] vector containing the normalization constants
 * @return :: workspace containing the quadrature phase signal
 */
API::MatrixWorkspace_sptr
PhaseQuadMuon::squash(const API::MatrixWorkspace_sptr &ws,
                      const API::ITableWorkspace_sptr &phase,
                      const std::vector<double> &n0) {

  // Poisson limit: below this number we consider we don't have enough
  // statistics
  // to apply sqrt(N). This is an arbitrary number used in the original code
  // provided by scientists
  const double poissonLimit = 30.;

  // Muon life time in microseconds
  const double muLife = PhysicalConstants::MuonLifetime * 1e6;

  const size_t nspec = ws->getNumberHistograms();

  if (n0.size() != nspec) {
    throw std::invalid_argument("Invalid normalization constants");
  }

  auto names = phase->getColumnNames();
  for (auto &name : names) {
    std::transform(name.begin(), name.end(), name.begin(), ::tolower);
  }
  auto phaseIndex = findName(phaseNames, names);
  auto asymmetryIndex = findName(asymmNames, names);

  // Get the maximum asymmetry
  double maxAsym = 0.;
  for (size_t h = 0; h < nspec; h++) {
    if (phase->Double(h, asymmetryIndex) > maxAsym &&
        phase->Double(h, asymmetryIndex) != ASYMM_ERROR) {
      maxAsym = phase->Double(h, asymmetryIndex);
    }
  }

  if (maxAsym == 0.0) {
    throw std::invalid_argument("Invalid detector asymmetries");
  }
  std::vector<bool> emptySpectrum;
  emptySpectrum.reserve(nspec);
  std::vector<double> aj, bj;
  {
    // Calculate coefficients aj, bj

    double sxx = 0.;
    double syy = 0.;
    double sxy = 0.;
    for (size_t h = 0; h < nspec; h++) {
      emptySpectrum.push_back(
          std::all_of(ws->y(h).begin(), ws->y(h).end(),
                      [](double value) { return value == 0.; }));
      if (!emptySpectrum[h]) {
        const double asym = phase->Double(h, asymmetryIndex) / maxAsym;
        const double phi = phase->Double(h, phaseIndex);
        const double X = n0[h] * asym * cos(phi);
        const double Y = n0[h] * asym * sin(phi);
        sxx += X * X;
        syy += Y * Y;
        sxy += X * Y;
      }
    }

    const double lam1 = 2 * syy / (sxx * syy - sxy * sxy);
    const double mu1 = 2 * sxy / (sxy * sxy - sxx * syy);
    const double lam2 = 2 * sxy / (sxy * sxy - sxx * syy);
    const double mu2 = 2 * sxx / (sxx * syy - sxy * sxy);
    for (size_t h = 0; h < nspec; h++) {
      if (emptySpectrum[h]) {
        aj.push_back(0.0);
        bj.push_back(0.0);
      } else {
        const double asym = phase->Double(h, asymmetryIndex) / maxAsym;
        const double phi = phase->Double(h, phaseIndex);
        const double X = n0[h] * asym * cos(phi);
        const double Y = n0[h] * asym * sin(phi);
        aj.push_back((lam1 * X + mu1 * Y) * 0.5);
        bj.push_back((lam2 * X + mu2 * Y) * 0.5);
      }
    }
  }

  const size_t npoints = ws->blocksize();
  // Create and populate output workspace
  API::MatrixWorkspace_sptr ows =
      API::WorkspaceFactory::Instance().create(ws, 2, npoints + 1, npoints);

  // X
  ows->setSharedX(0, ws->sharedX(0));
  ows->setSharedX(1, ws->sharedX(0));

  // Phase quadrature
  auto &realY = ows->mutableY(0);
  auto &imagY = ows->mutableY(1);
//.........这里部分代码省略.........

/** Carries out the bin-by-bin normalization
 *  @param inputWorkspace The input workspace
 *  @param outputWorkspace The result workspace
 */
void NormaliseToMonitor::normaliseBinByBin(
    const API::MatrixWorkspace_sptr &inputWorkspace,
    API::MatrixWorkspace_sptr &outputWorkspace) {
  EventWorkspace_sptr inputEvent =
      boost::dynamic_pointer_cast<EventWorkspace>(inputWorkspace);

  // Only create output workspace if different to input one
  if (outputWorkspace != inputWorkspace) {
    if (inputEvent) {
      outputWorkspace = inputWorkspace->clone();
    } else
      outputWorkspace = WorkspaceFactory::Instance().create(inputWorkspace);
  }
  auto outputEvent =
      boost::dynamic_pointer_cast<EventWorkspace>(outputWorkspace);

  // Get hold of the monitor spectrum
  const auto &monX = m_monitor->binEdges(0);
  auto monY = m_monitor->counts(0);
  auto monE = m_monitor->countStandardDeviations(0);
  // Calculate the overall normalization just the once if bins are all matching
  if (m_commonBins)
    this->normalisationFactor(monX, monY, monE);

  const size_t numHists = inputWorkspace->getNumberHistograms();
  auto specLength = inputWorkspace->blocksize();
  // Flag set when a division by 0 is found
  bool hasZeroDivision = false;
  Progress prog(this, 0.0, 1.0, numHists);
  // Loop over spectra
  PARALLEL_FOR_IF(
      Kernel::threadSafe(*inputWorkspace, *outputWorkspace, *m_monitor))
  for (int64_t i = 0; i < int64_t(numHists); ++i) {
    PARALLEL_START_INTERUPT_REGION
    prog.report();

    const auto &X = inputWorkspace->binEdges(i);
    // If not rebinning, just point to our monitor spectra, otherwise create new
    // vectors

    auto Y = (m_commonBins ? monY : Counts(specLength));
    auto E = (m_commonBins ? monE : CountStandardDeviations(specLength));

    if (!m_commonBins) {
      // ConvertUnits can give X vectors of all zeros - skip these, they cause
      // problems
      if (X.back() == 0.0 && X.front() == 0.0)
        continue;
      // Rebin the monitor spectrum to match the binning of the current data
      // spectrum
      VectorHelper::rebinHistogram(
          monX.rawData(), monY.mutableRawData(), monE.mutableRawData(),
          X.rawData(), Y.mutableRawData(), E.mutableRawData(), false);
      // Recalculate the overall normalization factor
      this->normalisationFactor(X, Y, E);
    }

    if (inputEvent) {
      // ----------------------------------- EventWorkspace
      // ---------------------------------------
      EventList &outEL = outputEvent->getSpectrum(i);
      outEL.divide(X.rawData(), Y.mutableRawData(), E.mutableRawData());
    } else {
      // ----------------------------------- Workspace2D
      // ---------------------------------------
      auto &YOut = outputWorkspace->mutableY(i);
      auto &EOut = outputWorkspace->mutableE(i);
      const auto &inY = inputWorkspace->y(i);
      const auto &inE = inputWorkspace->e(i);
      outputWorkspace->mutableX(i) = inputWorkspace->x(i);

      // The code below comes more or less straight out of Divide.cpp
      for (size_t k = 0; k < specLength; ++k) {
        // Get the input Y's
        const double leftY = inY[k];
        const double rightY = Y[k];

        if (rightY == 0.0) {
          hasZeroDivision = true;
        }

        // Calculate result and store in local variable to avoid overwriting
        // original data if
        // output workspace is same as one of the input ones
        const double newY = leftY / rightY;

        if (fabs(rightY) > 1.0e-12 && fabs(newY) > 1.0e-12) {
          const double lhsFactor = (inE[k] < 1.0e-12 || fabs(leftY) < 1.0e-12)
                                       ? 0.0
                                       : pow((inE[k] / leftY), 2);
          const double rhsFactor =
              E[k] < 1.0e-12 ? 0.0 : pow((E[k] / rightY), 2);
          EOut[k] = std::abs(newY) * sqrt(lhsFactor + rhsFactor);
        }

        // Now store the result
//.........这里部分代码省略.........