LoadVulcanCalFile.cpp

#include "MantidDataHandling/LoadVulcanCalFile.h"
#include "MantidAPI/Algorithm.h"
#include "MantidAPI/FileProperty.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidDataObjects/GroupingWorkspace.h"
#include "MantidDataObjects/MaskWorkspace.h"
#include "MantidDataObjects/OffsetsWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidKernel/System.h"
#include "MantidKernel/ListValidator.h"
#include "MantidKernel/ArrayProperty.h"
#include <fstream>
#include <Poco/Path.h>

#include <sstream>
#include <fstream>

#include <boost/algorithm/string/trim.hpp>
#include <boost/algorithm/string/split.hpp>

using Mantid::Geometry::Instrument_const_sptr;
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::DataObjects;

using namespace std;

namespace Mantid {
namespace DataHandling {
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(LoadVulcanCalFile)

// Number of detectors per module/bank
const size_t NUMBERDETECTORPERMODULE = 1232;
// Number of reserved detectors per module/bank
const size_t NUMBERRESERVEDPERMODULE = 1250;

//----------------------------------------------------------------------------------------------
/** Constructor
 */
LoadVulcanCalFile::LoadVulcanCalFile()
    : m_instrument(), m_groupingType(VULCAN_OFFSET_BANK), m_offsetFilename(""),
      m_badPixFilename(""), m_tofOffsetsWS(), m_offsetsWS(), m_groupWS(),
      m_maskWS(), m_doAlignEventWS(false), m_eventWS(), m_effLTheta() {}

//----------------------------------------------------------------------------------------------
/** Destructor
 */
LoadVulcanCalFile::~LoadVulcanCalFile() {}

//----------------------------------------------------------------------------------------------
/** Initialize the algorithm's properties.
 */
void LoadVulcanCalFile::init() {
  // LoadVulcanCalFile::getInstrument3WaysInit(this);

  declareProperty(
      new FileProperty("OffsetFilename", "", FileProperty::Load, ".dat"),
      "Path to the VULCAN offset file. ");

  vector<string> groupoptions{"6Modules", "2Banks", "1Bank"};

  declareProperty(
      "Grouping", "6Modules",
      boost::make_shared<ListValidator<string>>(groupoptions),
      "Choices to output group workspace for 1 bank, 2 banks or 6 modules. ");

  declareProperty(new FileProperty("BadPixelFilename", "",
                                   FileProperty::OptionalLoad, ".dat"),
                  "Path to the VULCAN bad pixel file. ");

  declareProperty(
      new PropertyWithValue<std::string>("WorkspaceName", "", Direction::Input),
      "The base of the output workspace names. Names will have '_group', "
      "'_offsets', '_mask' appended to them.");

  // Effective geometry: bank IDs
  declareProperty(new ArrayProperty<int>("BankIDs"),
                  "Bank IDs for the effective detectors. "
                  "Must cover all banks in the definition. ");

  // Effective geometry: DIFCs
  declareProperty(new ArrayProperty<double>("EffectiveDIFCs"),
                  "DIFCs for effective detectors. ");

  // Effective geometry: 2theta
  declareProperty(new ArrayProperty<double>("Effective2Thetas"),
                  "2 thetas for effective detectors. ");

  // These is the properties for testing purpose only!
  declareProperty(
      new WorkspaceProperty<EventWorkspace>(
          "EventWorkspace", "", Direction::InOut, PropertyMode::Optional),
      "Optional input/output EventWorkspace to get aligned by offset file. "
      "It serves as a verifying tool, and will be removed after test. ");
}

//----------------------------------------------------------------------------------------------
/** Execute the algorithm.
 */
void LoadVulcanCalFile::exec() {
  // Process input properties
  processInOutProperites();

  // Grouping workspace
  setupGroupingWorkspace();

  // Mask workspace
  setupMaskWorkspace();

  // Genreate Offset workspace
  generateOffsetsWorkspace();

  // Output
  if (m_doAlignEventWS)
    setProperty("EventWorkspace", m_eventWS);
}

//----------------------------------------------------------------------------------------------
/** Process input and output
  */
void LoadVulcanCalFile::processInOutProperites() {
  // Input
  m_offsetFilename = getPropertyValue("OffsetFilename");
  m_badPixFilename = getPropertyValue("BadPixelFilename");

  string WorkspaceName = getPropertyValue("WorkspaceName");
  if (WorkspaceName.empty())
    throw std::invalid_argument("Must specify WorkspaceName.");

  // Get intrument
  m_instrument = getInstrument();

  // Grouping
  string grouptypestr = getPropertyValue("Grouping");
  size_t numeffbanks = 6;
  if (grouptypestr.compare("6Modules") == 0) {
    m_groupingType = VULCAN_OFFSET_BANK;
  } else if (grouptypestr.compare("2Banks") == 0) {
    m_groupingType = VULCAN_OFFSET_MODULE;
  } else if (grouptypestr.compare("1Bank") == 0) {
    m_groupingType = VULCAN_OFFSET_STACK;
  } else {
    stringstream ess;
    ess << "Group type " << grouptypestr << " is not supported. ";
    throw runtime_error(ess.str());
  }

  // Effective L and 2thetas
  vector<int> vec_bankids = getProperty("BankIDs");
  vector<double> vec_difcs = getProperty("EffectiveDIFCs");
  vector<double> vec_2thetas = getProperty("Effective2Thetas");
  if (vec_bankids.size() != numeffbanks || vec_difcs.size() != numeffbanks ||
      vec_2thetas.size() != numeffbanks) {
    std::stringstream ess;
    ess << "Number of items of BankIDs (" << vec_bankids.size()
        << "), EffectiveDIFCs (" << vec_difcs.size()
        << ") and Effective2Thetas (" << vec_2thetas.size() << ") must be "
        << numeffbanks << " in mode '" << grouptypestr << "'! ";
    throw runtime_error(ess.str());
  }

  for (size_t i = 0; i < numeffbanks; ++i) {
    int bankid = vec_bankids[i];
    double difc = vec_difcs[i];
    double theta = 0.5 * vec_2thetas[i];
    double effl = difc / (252.777 * 2.0 * sin(theta / 180. * M_PI));

    m_effLTheta.emplace(bankid, make_pair(effl, theta));
  }

  // Create offset workspace
  std::string title = Poco::Path(m_offsetFilename).getFileName();
  m_tofOffsetsWS = OffsetsWorkspace_sptr(new OffsetsWorkspace(m_instrument));
  m_offsetsWS = OffsetsWorkspace_sptr(new OffsetsWorkspace(m_instrument));
  m_offsetsWS->setTitle(title);

  // Create mask workspace/bad pixel
  std::string masktitle = Poco::Path(m_badPixFilename).getFileName();
  m_maskWS = boost::make_shared<MaskWorkspace>(m_instrument);
  m_maskWS->setTitle(masktitle);

  // Set properties for these file
  m_offsetsWS->mutableRun().addProperty("Filename", m_offsetFilename);

  declareProperty(new WorkspaceProperty<OffsetsWorkspace>(
                      "OutputOffsetsWorkspace", WorkspaceName + "_offsets",
                      Direction::Output),
                  "Set the the output OffsetsWorkspace. ");
  setProperty("OutputOffsetsWorkspace", m_offsetsWS);

  m_tofOffsetsWS->mutableRun().addProperty("Filename", m_offsetFilename);
  declareProperty(new WorkspaceProperty<OffsetsWorkspace>(
                      "OutputTOFOffsetsWorkspace",
                      WorkspaceName + "_TOF_offsets", Direction::Output),
                  "Set the the (TOF) output OffsetsWorkspace. ");
  setProperty("OutputTOFOffsetsWorkspace", m_tofOffsetsWS);

  // mask workspace
  declareProperty(new WorkspaceProperty<MaskWorkspace>("OutputMaskWorkspace",
                                                       WorkspaceName + "_mask",
                                                       Direction::Output),
                  "Set the output MaskWorkspace. ");
  m_maskWS->mutableRun().addProperty("Filename", m_badPixFilename);
  setProperty("OutputMaskWorkspace", m_maskWS);

  // Extra event workspace as a verification tool
  m_eventWS = getProperty("EventWorkspace");
  if (m_eventWS)
    m_doAlignEventWS = true;
  else
    m_doAlignEventWS = false;

  return;
}

//----------------------------------------------------------------------------------------------
/** Set up grouping workspace
  */
void LoadVulcanCalFile::setupGroupingWorkspace() {
  // Get the right group option for CreateGroupingWorkspace
  string groupdetby = "";
  switch (m_groupingType) {
  case VULCAN_OFFSET_BANK:
    groupdetby = "bank";
    break;

  case VULCAN_OFFSET_MODULE:
    groupdetby = "Group";
    break;

  case VULCAN_OFFSET_STACK:
    groupdetby = "All";
    break;

  default:
    throw runtime_error("Grouping type is not supported. ");
    break;
  }

  // Calling algorithm CreateGroupingWorkspace
  IAlgorithm_sptr creategroupws =
      createChildAlgorithm("CreateGroupingWorkspace", -1, -1, true);
  creategroupws->initialize();

  creategroupws->setProperty("InstrumentName", "VULCAN");
  creategroupws->setProperty("GroupDetectorsBy", groupdetby);

  creategroupws->execute();
  if (!creategroupws->isExecuted())
    throw runtime_error("Unable to create grouping workspace.");

  m_groupWS = creategroupws->getProperty("OutputWorkspace");

  // Set title
  m_groupWS->setTitle(groupdetby);

  // Output
  string WorkspaceName = getPropertyValue("WorkspaceName");
  declareProperty(new WorkspaceProperty<GroupingWorkspace>(
                      "OutputGroupingWorkspace", WorkspaceName + "_group",
                      Direction::Output),
                  "Set the output GroupingWorkspace. ");
  m_groupWS->mutableRun().addProperty("Filename", m_offsetFilename);
  setProperty("OutputGroupingWorkspace", m_groupWS);

  return;
}

//----------------------------------------------------------------------------------------------
/** Set up masking workspace
  */
void LoadVulcanCalFile::setupMaskWorkspace() {

  // Skip if bad pixel file is not given
  if (m_badPixFilename.size() == 0)
    return;

  // Open file
  std::ifstream maskss(m_badPixFilename.c_str());
  if (!maskss.is_open()) {
    g_log.warning("Bad pixel file cannot be read.");
    return;
  }

  string line;
  while (std::getline(maskss, line)) {
    boost::algorithm::trim(line);
    if (!line.empty()) {
      // Get the bad pixel's detector ID.  One per line
      stringstream liness(line);
      try {
        int pixelid;
        liness >> pixelid;

        // Set mask
        m_maskWS->setValue(pixelid, 1.0);
      } catch (const std::invalid_argument &e) {
        g_log.debug() << "Unable to parse line " << line
                      << ".  Error message: " << e.what() << "\n";
        continue;
      }
    }
  }
  maskss.close();

  // Mask workspace index
  std::ostringstream msg;
  for (size_t i = 0; i < m_maskWS->getNumberHistograms(); ++i) {
    if (m_maskWS->readY(i)[0] > 0.5) {
      m_maskWS->maskWorkspaceIndex(i);
      m_maskWS->dataY(i)[0] = 1.0;
      msg << "Spectrum " << i << " is masked. DataY = " << m_maskWS->readY(i)[0]
          << "\n";
    }
  }
  g_log.information(msg.str());

  return;
}

//----------------------------------------------------------------------------------------------
/** Generate offset workspace
  */
void LoadVulcanCalFile::generateOffsetsWorkspace() {
  map<detid_t, double> map_detoffset;

  // Read offset file
  readOffsetFile(map_detoffset);

  // Generate map among PIDs, workspace indexes and offsets
  processOffsets(map_detoffset);

  // Convert the input EventWorkspace if necessary
  if (m_doAlignEventWS)
    alignEventWorkspace();

  // Convert to Mantid offset values
  convertOffsets();

  return;
}

//----------------------------------------------------------------------------------------------
/** Read VULCAN's offset file
  */
void LoadVulcanCalFile::readOffsetFile(
    std::map<detid_t, double> &map_detoffset) {
  // Read file
  ifstream infile(m_offsetFilename.c_str());
  if (!infile.is_open()) {
    stringstream errss;
    errss << "Input offset file " << m_offsetFilename << " cannot be opened.";
    throw runtime_error(errss.str());
  }

  string line;
  while (std::getline(infile, line)) {
    std::istringstream iss(line);
    int pid;
    double offset;
    if (!(iss >> pid >> offset))
      continue;
    detid_t detid = static_cast<detid_t>(pid);
    map_detoffset.emplace(detid, offset);
  }

  return;
}

//----------------------------------------------------------------------------------------------
/** Process offsets by generating maps
  * Output: Offset workspace : 10^(xi_0 + xi_1 + xi_2)
  */
void LoadVulcanCalFile::processOffsets(
    std::map<detid_t, double> map_detoffset) {
  size_t numspec = m_tofOffsetsWS->getNumberHistograms();

  // Map from Mantid instrument to VULCAN offset
  map<detid_t, size_t> map_det2index;
  for (size_t i = 0; i < numspec; ++i) {
    Geometry::IDetector_const_sptr det = m_tofOffsetsWS->getDetector(i);
    detid_t tmpid = det->getID();

    // Map between detector ID and workspace index
    map_det2index.emplace(tmpid, i);
  }

  // Map from VULCAN offset to Mantid instrument: Validate
  std::set<int> set_bankID;
  map<detid_t, pair<bool, int>>
      map_verify; // key: detector ID, value: flag to have a match, bank ID
  for (auto &miter : map_detoffset) {
    detid_t pid = miter.first;
    auto fiter = map_det2index.find(pid);
    if (fiter == map_det2index.end()) {
      map_verify.emplace(pid, make_pair(false, -1));
    } else {
      size_t wsindex = fiter->second;
      // Get bank ID from instrument tree
      Geometry::IDetector_const_sptr det = m_tofOffsetsWS->getDetector(wsindex);
      Geometry::IComponent_const_sptr parent = det->getParent();
      string pname = parent->getName();

      vector<string> terms;
      boost::split(terms, pname, boost::is_any_of("("));
      vector<string> terms2;
      boost::split(terms2, terms[0], boost::is_any_of("bank"));
      int bank = atoi(terms2.back().c_str());
      set_bankID.insert(bank);

      map_verify.emplace(pid, make_pair(true, bank));
    }
  }

  // Verify
  static const size_t arr[] = {21, 22, 23, 26, 27, 28};
  vector<size_t> vec_banks(arr, arr + sizeof(arr) / sizeof(arr[0]));

  for (auto bankindex : vec_banks) {
    for (size_t j = 0; j < NUMBERDETECTORPERMODULE; ++j) {
      detid_t detindex =
          static_cast<detid_t>(bankindex * NUMBERRESERVEDPERMODULE + j);
      auto miter = map_verify.find(detindex);
      if (miter == map_verify.end())
        throw runtime_error("It cannot happen!");
      bool exist = miter->second.first;
      int tmpbank = miter->second.second;
      if (!exist)
        throw runtime_error(
            "Define VULCAN offset pixel is not defined in Mantid.");
      if (tmpbank != static_cast<int>(bankindex))
        throw runtime_error("Bank ID does not match!");
    }
  }

  // Get the global correction
  std::set<int>::iterator biter;
  g_log.information() << "Number of bankds to process = " << set_bankID.size()
                      << "\n";
  map<int, double> map_bankLogCorr;
  for (biter = set_bankID.begin(); biter != set_bankID.end(); ++biter) {
    // Locate inter bank and inter pack correction (log)
    int bankid = *biter;
    double globalfactor = 0.;
    map<detid_t, double>::iterator offsetiter;

    // Inter-bank correction
    if (m_groupingType != VULCAN_OFFSET_BANK) {
      detid_t interbank_detid =
          static_cast<detid_t>((bankid + 1) * NUMBERRESERVEDPERMODULE) - 2;

      g_log.information() << "Find inter-bank correction for bank " << bankid
                          << " for special detid " << interbank_detid << ".\n";

      offsetiter = map_detoffset.find(interbank_detid);
      if (offsetiter == map_detoffset.end())
        throw runtime_error("It cannot happen!");
      double interbanklogcorr = offsetiter->second;

      globalfactor += interbanklogcorr;
    }

    // Inter-module correction
    if (m_groupingType == VULCAN_OFFSET_STACK) {
      g_log.information() << "Find inter-module correction for bank " << bankid
                          << ".\n";

      detid_t intermodule_detid =
          static_cast<detid_t>((bankid + 1) * NUMBERRESERVEDPERMODULE) - 1;
      offsetiter = map_detoffset.find(intermodule_detid);
      if (offsetiter == map_detoffset.end())
        throw runtime_error("It cannot happen!");
      double intermodulelogcorr = offsetiter->second;

      globalfactor += intermodulelogcorr;
    }

    map_bankLogCorr.emplace(bankid, globalfactor);
  }

  // Calcualte the offset for each detector (log now still)
  map<detid_t, double>::iterator offsetiter;
  map<int, double>::iterator bankcorriter;
  for (size_t iws = 0; iws < numspec; ++iws) {
    detid_t detid = m_tofOffsetsWS->getDetector(iws)->getID();
    offsetiter = map_detoffset.find(detid);
    if (offsetiter == map_detoffset.end())
      throw runtime_error("It cannot happen!");

    int bankid =
        static_cast<int>(detid) / static_cast<int>(NUMBERRESERVEDPERMODULE);
    bankcorriter = map_bankLogCorr.find(bankid);
    if (bankcorriter == map_bankLogCorr.end())
      throw runtime_error("It cannot happen!");

    double offset = offsetiter->second + bankcorriter->second;
    m_tofOffsetsWS->dataY(iws)[0] = pow(10., offset);
  }

  return;
}

//----------------------------------------------------------------------------------------------
/** Align the input EventWorkspace
  */
void LoadVulcanCalFile::alignEventWorkspace() {
  g_log.notice("Align input EventWorkspace.");

  size_t numberOfSpectra = m_eventWS->getNumberHistograms();
  if (numberOfSpectra != m_tofOffsetsWS->getNumberHistograms())
    throw runtime_error("Number of histograms are different!");

  PARALLEL_FOR_NO_WSP_CHECK()
  for (int64_t i = 0; i < int64_t(numberOfSpectra); ++i) {
    PARALLEL_START_INTERUPT_REGION

    // Compute the conversion factor
    double factor = m_tofOffsetsWS->readY(i)[0];

    // Perform the multiplication on all events
    m_eventWS->getEventList(i).convertTof(1. / factor);

    PARALLEL_END_INTERUPT_REGION
  }
  PARALLEL_CHECK_INTERUPT_REGION

  return;
}

//----------------------------------------------------------------------------------------------
/** Translate the VULCAN's offset to Mantid
  * Input Offset workspace : 10^(xi_0 + xi_1 + xi_2)
  *
  * This is the rigorous way to calcualte 2theta
  * detPos -= samplePos;
  * l2 = detPos.norm();
  * halfcosTwoTheta = detPos.scalar_prod(beamline)/(l2*beamline_norm);
  * sinTheta=sqrt(0.5-halfcosTwoTheta);
  *
  * 6 pixels in each bank to be focussed on
  * // (detid == 26870 || detid == 28120 || detid == 29370 ||
  * //  detid == 33120 || detid == 34370 || detid == 35620)
  *
  */
void LoadVulcanCalFile::convertOffsets() {
  size_t numspec = m_tofOffsetsWS->getNumberHistograms();

  // Instrument parameters
  double l1;
  Kernel::V3D beamline, samplePos;
  double beamline_norm;

  m_instrument->getInstrumentParameters(l1, beamline, beamline_norm, samplePos);
  g_log.debug() << "Beam line = " << beamline.X() << ", " << beamline.Y()
                << ", " << beamline.Z() << "\n";

  // FIXME - The simple version of the algorithm to calculate 2theta is used
  // here.
  //         A check will be made to raise exception if the condition is not met
  //         to use the simple version.
  double s_r, s_2theta, s_phi;
  s_r = s_2theta = s_phi = 0.;
  samplePos.spherical(s_r, s_2theta, s_phi);
  if (fabs(beamline.X()) > 1.0E-20 || fabs(beamline.Y()) > 1.0E-20 ||
      s_r > 1.0E-20)
    throw runtime_error(
        "Source is not at (0, 0, Z) or sample is not at (0, 0, 0).  "
        "The simple version to calcualte detector's 2theta fails on this "
        "situation.");

  map<int, pair<double, double>>::iterator mfiter;
  for (size_t iws = 0; iws < numspec; ++iws) {
    // Get detector's information including bank belonged to and geometry
    // parameters
    Geometry::IDetector_const_sptr det = m_tofOffsetsWS->getDetector(iws);
    V3D detPos = det->getPos();

    detid_t detid = det->getID();
    int bankid = detid / static_cast<int>(NUMBERRESERVEDPERMODULE);

    double l2, twotheta, phi;
    detPos.getSpherical(l2, twotheta, phi);

    // Get effective
    mfiter = m_effLTheta.find(bankid);
    if (mfiter == m_effLTheta.end())
      throw runtime_error("Effective DIFC and 2theta information is missed. ");

    double effL = mfiter->second.first;
    double effTheta = mfiter->second.second;
    double totL = l1 + l2;

    // Calcualte converted offset
    double vuloffset = m_tofOffsetsWS->readY(iws)[0];
    double manoffset = (totL * sin(twotheta * 0.5 * M_PI / 180.)) /
                           (effL * sin(effTheta * M_PI / 180.)) / vuloffset -
                       1.;
    m_offsetsWS->dataY(iws)[0] = manoffset;
  }

  return;
}

//----------------------------------------------------------------------------------------------
/** Get a pointer to an instrument in one of 3 ways: InputWorkspace,
 * InstrumentName, InstrumentFilename
  */
Geometry::Instrument_const_sptr LoadVulcanCalFile::getInstrument() {
  // Set up name
  std::string InstrumentName("VULCAN");

  // Get the instrument
  Instrument_const_sptr inst;

  Algorithm_sptr childAlg = createChildAlgorithm("LoadInstrument", 0.0, 0.2);
  MatrixWorkspace_sptr tempWS = boost::make_shared<Workspace2D>();
  childAlg->setProperty<MatrixWorkspace_sptr>("Workspace", tempWS);
  childAlg->setPropertyValue("InstrumentName", InstrumentName);
  childAlg->setProperty("RewriteSpectraMap",
                        Mantid::Kernel::OptionalBool(false));
  childAlg->executeAsChildAlg();
  inst = tempWS->getInstrument();

  return inst;
}

//-----------------------------------------------------------------------
/** Reads the calibration file.
 *
 * @param calFileName :: path to the old .cal file
 * @param groupWS :: optional, GroupingWorkspace to fill. Must be initialized to
 *the right instrument.
 * @param offsetsWS :: optional, OffsetsWorkspace to fill. Must be initialized
 *to the right instrument.
 * @param maskWS :: optional, masking-type workspace to fill. Must be
 *initialized to the right instrument.
 */
void LoadVulcanCalFile::readCalFile(const std::string &calFileName,
                                    GroupingWorkspace_sptr groupWS,
                                    OffsetsWorkspace_sptr offsetsWS,
                                    MaskWorkspace_sptr maskWS) {
  bool doGroup = bool(groupWS);
  bool doOffsets = bool(offsetsWS);
  bool doMask = bool(maskWS);

  bool hasUnmasked(false);
  bool hasGrouped(false);

  if (!doOffsets && !doGroup && !doMask)
    throw std::invalid_argument("You must give at least one of the grouping, "
                                "offsets or masking workspaces.");

  std::ifstream grFile(calFileName.c_str());
  if (!grFile) {
    throw std::runtime_error("Unable to open calibration file " + calFileName);
  }

  size_t numErrors = 0;

  detid2index_map detID_to_wi;
  if (doMask) {
    detID_to_wi = maskWS->getDetectorIDToWorkspaceIndexMap();
  }

  // not all of these should be doubles, but to make reading work read as double
  // then recast to int
  int n, udet, select, group;
  double n_d, udet_d, offset, select_d, group_d;

  std::string str;
  while (getline(grFile, str)) {
    if (str.empty() || str[0] == '#')
      continue;
    std::istringstream istr(str);

    // read in everything as double then cast as appropriate
    istr >> n_d >> udet_d >> offset >> select_d >> group_d;
    n = static_cast<int>(n_d);
    udet = static_cast<int>(udet_d);
    select = static_cast<int>(select_d);
    group = static_cast<int>(group_d);

    if (doOffsets) {
      if (offset <= -1.) // should never happen
      {
        std::stringstream msg;
        msg << "Encountered offset = " << offset << " at index " << n
            << " for udet = " << udet << ". Offsets must be greater than -1.";
        throw std::runtime_error(msg.str());
      }

      try {
        offsetsWS->setValue(udet, offset);
      } catch (std::invalid_argument &) {
        numErrors++;
      }
    }

    if (doGroup) {
      try {
        groupWS->setValue(udet, double(group));
        if ((!hasGrouped) && (group > 0))
          hasGrouped = true;
      } catch (std::invalid_argument &) {
        numErrors++;
      }
    }

    if (doMask) {
      detid2index_map::const_iterator it = detID_to_wi.find(udet);
      if (it != detID_to_wi.end()) {
        size_t wi = it->second;

        if (select <= 0) {
          // Not selected, then mask this detector
          maskWS->maskWorkspaceIndex(wi);
          maskWS->dataY(wi)[0] = 1.0;
        } else {
          // Selected, set the value to be 0
          maskWS->dataY(wi)[0] = 0.0;
          if (!hasUnmasked)
            hasUnmasked = true;
        }

      } else {
        // Could not find the UDET.
        numErrors++;
      }
    }
  }

  // Warn about any errors

  if (numErrors > 0)
    Logger("LoadVulcanCalFile").warning()
        << numErrors
        << " errors (invalid Detector ID's) found when reading .cal file '"
        << calFileName << "'.\n";
  if (doGroup && (!hasGrouped))
    Logger("LoadVulcanCalFile").warning() << "'" << calFileName
                                          << "' has no spectra grouped\n";
  if (doMask && (!hasUnmasked))
    Logger("LoadVulcanCalFile").warning() << "'" << calFileName
                                          << "' masks all spectra\n";
}

} // namespace Mantid
} // namespace DataHandling