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CoordTransformDistance.cpp
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CoordTransformDistance.cpp
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2018 ISIS Rutherford Appleton Laboratory UKRI,
// NScD Oak Ridge National Laboratory, European Spallation Source,
// Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
// SPDX - License - Identifier: GPL - 3.0 +
#include "MantidDataObjects/CoordTransformDistance.h"
#include "MantidAPI/CoordTransform.h"
#include "MantidKernel/Exception.h"
#include "MantidKernel/System.h"
#include <boost/algorithm/string.hpp>
#include <boost/format.hpp>
using namespace Mantid::Geometry;
using namespace Mantid::Kernel;
using Mantid::API::CoordTransform;
namespace Mantid {
namespace DataObjects {
//----------------------------------------------------------------------------------------------
/** Constructor
*
* @param inD :: # of input dimensions
* @param center :: array of size[inD], with the coordinates at the center
* @param dimensionsUsed :: bool array of size[inD] where True is set for those
*dimensions that are considered when
* calculating distance.
* @param outD :: # of output dimensions
* @param eigenvects :: eigenvectors of an ellipsoid (if used)
* @param eigenvals :: variances along each eigenvector (if used)
* @return
*/
CoordTransformDistance::CoordTransformDistance(const size_t inD, const coord_t *center, const bool *dimensionsUsed,
const size_t outD, const std::vector<Kernel::V3D> &eigenvects,
const std::vector<double> &eigenvals)
: CoordTransform(inD, outD) {
m_center.reserve(inD);
m_dimensionsUsed.reserve(inD);
m_eigenvals.reserve(inD);
m_maxEigenval = 0.0;
for (size_t d = 0; d < inD; d++) {
m_center.push_back(center[d]);
m_dimensionsUsed.push_back(dimensionsUsed[d]);
if (eigenvals.size() == inD && eigenvects.size() == inD) {
// coord transform for n-ellipsoid specified
m_eigenvals.push_back(eigenvals[d]);
m_eigenvects.push_back(eigenvects[d]);
m_maxEigenval = std::max(m_maxEigenval, eigenvals[d]);
}
}
}
//----------------------------------------------------------------------------------------------
/** Virtual cloner
* @return a copy of this object */
CoordTransform *CoordTransformDistance::clone() const { return new CoordTransformDistance(*this); }
//----------------------------------------------------------------------------------------------
/** Apply the coordinate transformation.
*
* Calculate the SQUARE of the distance between the input coordinates to
*m_center
* but only on dimensionsUsed[d] == true.
*
* @param inputVector :: fixed-size array of input coordinates, of size inD
* @param outVector :: fixed-size array of output coordinates, of size 1
*/
void CoordTransformDistance::apply(const coord_t *inputVector, coord_t *outVector) const {
if (outD == 1) {
coord_t distanceSquared = 0;
if (m_eigenvals.size() == 3) {
// ellipsoid transfrom with ratio of axes given by standard deviation
// i.e. sqrt(eigenvals)
for (size_t d = 0; d < inD; d++) {
// do dot prod with eigenvector
coord_t dist = 0.0;
// calculate the covariance of the delta vector using
// the three eigen vector as the new base
for (size_t dd = 0; dd < inD; dd++) {
dist += static_cast<coord_t>(m_eigenvects[d][dd]) * (inputVector[dd] - m_center[dd]);
}
distanceSquared += (dist * dist) * static_cast<coord_t>(m_maxEigenval / m_eigenvals[d]);
}
// debug output
// std::cout << "[CoordTransFormDistance]\n"
// << "eigenvals:" << m_eigenvals[0] << "," << m_eigenvals[1]
// << "," << m_eigenvals[2] << "\n"
// << "peak_center:" << m_center[0] << "," << m_center[1] << ","
// << m_center[2] << "\n"
// << "distanceSquared = " << distanceSquared << "\n\n";
} else {
// nd spherical transform
for (size_t d = 0; d < inD; d++) {
if (m_dimensionsUsed[d]) {
coord_t dist = inputVector[d] - m_center[d];
distanceSquared += (dist * dist);
}
}
}
/// Return the only output dimension
outVector[0] = distanceSquared;
} else {
// Cylinder 2D output radius and length
coord_t lenQdata = 0.0;
coord_t lenQpeak = 0.0;
coord_t cosAng = 0.0;
for (size_t d = 0; d < inD; d++) {
lenQdata += inputVector[d] * inputVector[d];
lenQpeak += m_center[d] * m_center[d];
cosAng += m_center[d] * inputVector[d];
}
lenQdata = std::sqrt(lenQdata);
lenQpeak = std::sqrt(lenQpeak);
if (lenQpeak * lenQdata != 0.0)
cosAng /= (lenQpeak * lenQdata);
coord_t angle = std::acos(cosAng);
outVector[0] = lenQdata * std::sin(angle);
outVector[1] = lenQdata * cosAng - lenQpeak;
}
}
//----------------------------------------------------------------------------------------------
/** Serialize the coordinate transform distance
*
* @return The coordinate transform distance in its serialized form.
*/
std::string CoordTransformDistance::toXMLString() const {
using namespace Poco::XML;
AutoPtr<Document> pDoc = new Document;
AutoPtr<Element> coordTransformElement = pDoc->createElement("CoordTransform");
pDoc->appendChild(coordTransformElement);
AutoPtr<Element> coordTransformTypeElement = pDoc->createElement("Type");
coordTransformTypeElement->appendChild(AutoPtr<Text>(pDoc->createTextNode("CoordTransformDistance")));
coordTransformElement->appendChild(coordTransformTypeElement);
AutoPtr<Element> paramListElement = pDoc->createElement("ParameterList");
AutoPtr<Text> formatText = pDoc->createTextNode("%s%s%s%s");
paramListElement->appendChild(formatText);
coordTransformElement->appendChild(paramListElement);
std::stringstream xmlstream;
DOMWriter writer;
writer.writeNode(xmlstream, pDoc);
// Convert the members to parameters
Mantid::API::InDimParameter inD_param(inD);
Mantid::API::OutDimParameter outD_param(outD);
CoordCenterVectorParam m_center_param(inD);
DimensionsUsedVectorParam m_dimensionsUsed_param(inD);
// Create and copy the arrays.
for (size_t d = 0; d < inD; d++) {
m_center_param.addValue(d, m_center[d]);
m_dimensionsUsed_param.addValue(d, m_dimensionsUsed[d]);
}
std::string formattedXMLString = boost::str(boost::format(xmlstream.str().c_str()) % inD_param.toXMLString().c_str() %
outD_param.toXMLString().c_str() % m_center_param.toXMLString().c_str() %
m_dimensionsUsed_param.toXMLString().c_str());
return formattedXMLString;
}
/**
* Coordinate transform id
* @return the type of coordinate transform
*/
std::string CoordTransformDistance::id() const { return "CoordTransformDistance"; }
} // namespace DataObjects
} // namespace Mantid