/**
* Updates the map from run number to GoniometerMatrix
*
* @param Peaks The PeaksWorkspace whose peaks contain the run numbers
* along with the corresponding GoniometerMatrix
*
* @param OptRuns A '/' separated "list" of run numbers to include in the
* map. This string must also start and end with a '/'
*
* @param Res The resultant map.
*/
void PeakHKLErrors::getRun2MatMap(
PeaksWorkspace_sptr &Peaks, const std::string &OptRuns,
std::map<int, Mantid::Kernel::Matrix<double>> &Res) const {
for (int i = 0; i < Peaks->getNumberPeaks(); ++i) {
Geometry::IPeak &peak_old = Peaks->getPeak(i);
int runNum = peak_old.getRunNumber();
std::string runNumStr = std::to_string(runNum);
size_t N = OptRuns.find("/" + runNumStr + "/");
if (N < OptRuns.size()) {
double chi =
getParameter("chi" + boost::lexical_cast<std::string>(runNumStr));
double phi =
getParameter("phi" + boost::lexical_cast<std::string>(runNumStr));
double omega =
getParameter("omega" + boost::lexical_cast<std::string>(runNumStr));
Mantid::Geometry::Goniometer uniGonio;
uniGonio.makeUniversalGoniometer();
uniGonio.setRotationAngle("phi", phi);
uniGonio.setRotationAngle("chi", chi);
uniGonio.setRotationAngle("omega", omega);
Res[runNum] = uniGonio.getR();
}
}
}
/** Append the peaks from a .peaks file into the workspace
* @param outWS :: the workspace in which to place the information
* @param filename :: path to the .peaks file
*/
void LoadIsawPeaks::appendFile( PeaksWorkspace_sptr outWS, std::string filename )
{
// Open the file
std::ifstream in( filename.c_str() );
// Read the header, load the instrument
double T0;
std::string s = readHeader( outWS, in , T0);
// set T0 in the run parameters
API::Run & m_run = outWS->mutableRun();
m_run.addProperty<double>("T0", T0, true);
if( !in.good() || s.length() < 1 )
throw std::runtime_error( "End of Peaks file before peaks" );
if( s.compare( std::string( "0" ) ) != 0 )
throw std::logic_error( "No header for Peak segments" );
readToEndOfLine( in , true );
s = getWord( in , false );
int run, bankNum;
double chi , phi , omega , monCount;
// Build the universal goniometer that will build the rotation matrix.
Mantid::Geometry::Goniometer uniGonio;
uniGonio.makeUniversalGoniometer();
// TODO: Can we find the number of peaks to get better progress reporting?
Progress prog(this, 0.0, 1.0, 100);
while( in.good() )
{
// Read the header if necessary
s = readPeakBlockHeader( s , in , run , bankNum , chi , phi ,
omega , monCount );
// Build the Rotation matrix using phi,chi,omega
uniGonio.setRotationAngle("phi", phi);
uniGonio.setRotationAngle("chi", chi);
uniGonio.setRotationAngle("omega", omega);
//Put goniometer into peaks workspace
outWS->mutableRun().setGoniometer(uniGonio, false);
std::ostringstream oss;
std::string bankString = "bank";
if (outWS->getInstrument()->getName() == "WISH") bankString = "WISHpanel0";
oss << bankString << bankNum;
std::string bankName = oss.str();
int seqNum = -1;
try
{
// Read the peak
Peak peak = readPeak(outWS, s, in, seqNum, bankName);
// Get the calculated goniometer matrix
Matrix<double> gonMat = uniGonio.getR();
peak.setGoniometerMatrix(gonMat);
peak.setRunNumber(run);
peak.setMonitorCount( monCount );
double tof = peak.getTOF();
Kernel::Units::Wavelength wl;
wl.initialize(peak.getL1(), peak.getL2(), peak.getScattering(), 0,
peak.getInitialEnergy(), 0.0);
peak.setWavelength(wl.singleFromTOF( tof));
// Add the peak to workspace
outWS->addPeak(peak);
}
catch (std::runtime_error & e)
{
g_log.warning() << "Error reading peak SEQN " << seqNum << " : " << e.what() << std::endl;
}
prog.report();
}
}