GroupTransformation.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 "MantidGeometry/Crystal/GroupTransformation.h"
#include "MantidGeometry/Crystal/MatrixVectorPairParser.h"
#include "MantidGeometry/Crystal/SymmetryOperationFactory.h"
 
#include <functional>
 
namespace Mantid::Geometry {
 
using namespace Kernel;
 
GroupTransformation::GroupTransformation(const MatrixVectorPair<double, V3R> &operation)
    : m_matrixVectorPair(operation) {
  setInverseFromPair();
}
 
GroupTransformation::GroupTransformation(const std::string &operationString)
    : GroupTransformation(parseMatrixVectorPair<double>(operationString)) {}
 
Group GroupTransformation::operator()(const Group &other) const {
  std::vector<SymmetryOperation> groupOperations = other.getSymmetryOperations();
 
  std::vector<SymmetryOperation> transformedOperations;
  transformedOperations.reserve(groupOperations.size());
 
  using std::placeholders::_1;
 
  std::transform(groupOperations.cbegin(), groupOperations.cend(), std::back_inserter(transformedOperations),
                 std::bind(&GroupTransformation::transformOperation, this, _1));
 
  return Group(transformedOperations);
}
 
GroupTransformation GroupTransformation::getInverse() const {
  return GroupTransformation(m_matrixVectorPair.getInverse());
}
 
SymmetryOperation GroupTransformation::transformOperation(const SymmetryOperation &operation) const {
  MatrixVectorPair<double, V3R> op =
      m_inversePair * MatrixVectorPair<double, V3R>(convertMatrix<double>(operation.matrix()), operation.vector()) *
      m_matrixVectorPair;
 
  return SymmetryOperation(op.getMatrix(), getWrappedVector(op.getVector()));
}
 
void GroupTransformation::setInverseFromPair() { m_inversePair = m_matrixVectorPair.getInverse(); }
 
} // namespace Mantid::Geometry