Refs #9992. Added PoldiSpectrumPawleyFunction

Code/Mantid/Framework/SINQ/CMakeLists.txt

@@ -32,6 +32,7 @@ set ( SRC_FILES
         src/PoldiUtilities/PoldiSourceSpectrum.cpp
 	src/PoldiUtilities/PoldiSpectrumConstantBackground.cpp
 	src/PoldiUtilities/PoldiSpectrumLinearBackground.cpp
+	src/PoldiUtilities/PoldiSpectrumPawleyFunction.cpp
 	src/PoldiUtilities/PoldiTimeTransformer.cpp
 	src/PoldiUtilities/UncertainValue.cpp
 	src/ProjectMD.cpp
@@ -78,6 +79,7 @@ set ( INC_FILES
 	inc/MantidSINQ/PoldiUtilities/PoldiSpectrumConstantBackground.h
         inc/MantidSINQ/PoldiUtilities/PoldiSpectrumDomainFunction.h
 	inc/MantidSINQ/PoldiUtilities/PoldiSpectrumLinearBackground.h
+	inc/MantidSINQ/PoldiUtilities/PoldiSpectrumPawleyFunction.h
 	inc/MantidSINQ/PoldiUtilities/PoldiTimeTransformer.h
 	inc/MantidSINQ/PoldiUtilities/UncertainValue.h
 	inc/MantidSINQ/PoldiUtilities/UncertainValueIO.h
@@ -119,6 +121,7 @@ set ( TEST_FILES
         PoldiSpectrumDomainFunctionTest.h
 	PoldiSpectrumConstantBackgroundTest.h
 	PoldiSpectrumLinearBackgroundTest.h
+	PoldiSpectrumPawleyFunctionTest.h
 	PoldiTimeTransformerTest.h
 	PoldiTruncateDataTest.h
 	ProjectMDTest.h

Code/Mantid/Framework/SINQ/inc/MantidSINQ/PoldiUtilities/PoldiSpectrumPawleyFunction.h

+#ifndef MANTID_SINQ_POLDISPECTRUMPAWLEYFUNCTION_H_
+#define MANTID_SINQ_POLDISPECTRUMPAWLEYFUNCTION_H_
+
+#include "MantidSINQ/DllConfig.h"
+#include "MantidSINQ/PoldiUtilities/PoldiSpectrumDomainFunction.h"
+#include "MantidAPI/IPawleyFunction.h"
+
+namespace Mantid {
+namespace Poldi {
+
+/** PoldiSpectrumPawleyFunction : TODO: DESCRIPTION
+
+  Copyright © 2015 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
+  National Laboratory & European Spallation Source
+
+  This file is part of Mantid.
+
+  Mantid is free software; you can redistribute it and/or modify
+  it under the terms of the GNU General Public License as published by
+  the Free Software Foundation; either version 3 of the License, or
+  (at your option) any later version.
+
+  Mantid is distributed in the hope that it will be useful,
+  but WITHOUT ANY WARRANTY; without even the implied warranty of
+  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+  GNU General Public License for more details.
+
+  You should have received a copy of the GNU General Public License
+  along with this program.  If not, see <http://www.gnu.org/licenses/>.
+
+  File change history is stored at: <https://github.com/mantidproject/mantid>
+  Code Documentation is available at: <http://doxygen.mantidproject.org>
+*/
+class MANTID_SINQ_DLL PoldiSpectrumPawleyFunction
+    : public PoldiSpectrumDomainFunction {
+public:
+  PoldiSpectrumPawleyFunction();
+  virtual ~PoldiSpectrumPawleyFunction() {}
+
+  std::string name() const { return "PoldiSpectrumPawleyFunction"; }
+
+  void
+  setMatrixWorkspace(boost::shared_ptr<const API::MatrixWorkspace> workspace,
+                     size_t wi, double startX, double endX);
+
+  void function1DSpectrum(const API::FunctionDomain1DSpectrum &domain,
+                          API::FunctionValues &values) const;
+  void functionDeriv1DSpectrum(const API::FunctionDomain1DSpectrum &domain,
+                               API::Jacobian &jacobian);
+  void poldiFunction1D(const std::vector<int> &indices,
+                       const API::FunctionDomain1D &domain,
+                       API::FunctionValues &values) const;
+
+  API::IPawleyFunction_sptr getPawleyFunction() const;
+
+protected:
+  void beforeDecoratedFunctionSet(const API::IFunction_sptr &fn);
+
+  API::IPawleyFunction_sptr m_pawleyFunction;
+};
+
+} // namespace Poldi
+} // namespace Mantid
+
+#endif /* MANTID_SINQ_POLDISPECTRUMPAWLEYFUNCTION_H_ */

Code/Mantid/Framework/SINQ/src/PoldiUtilities/PoldiSpectrumPawleyFunction.cpp

+#include "MantidSINQ/PoldiUtilities/PoldiSpectrumPawleyFunction.h"
+#include "MantidAPI/FunctionFactory.h"
+#include "MantidAPI/FunctionValues.h"
+
+namespace Mantid {
+namespace Poldi {
+
+using namespace API;
+
+/// Default constructor
+PoldiSpectrumPawleyFunction::PoldiSpectrumPawleyFunction()
+    : PoldiSpectrumDomainFunction(), m_pawleyFunction() {}
+
+/// This function does nothing to prevent setting the workspace on the wrapped
+/// function (unit conversion will not work and is not needed).
+void PoldiSpectrumPawleyFunction::setMatrixWorkspace(
+    boost::shared_ptr<const MatrixWorkspace> workspace, size_t wi,
+    double startX, double endX) {
+  UNUSED_ARG(workspace);
+  UNUSED_ARG(wi);
+  UNUSED_ARG(startX);
+  UNUSED_ARG(endX);
+}
+
+void PoldiSpectrumPawleyFunction::function1DSpectrum(
+    const FunctionDomain1DSpectrum &domain, FunctionValues &values) const {
+  values.zeroCalculated();
+
+  size_t domainSize = domain.size();
+  size_t index = domain.getWorkspaceIndex();
+  Poldi2DHelper_sptr helper = m_2dHelpers[index];
+
+  if (helper) {
+    FunctionValues localValues(*helper->domain);
+
+    for (size_t i = 0; i < helper->dOffsets.size(); ++i) {
+      double newDOffset = helper->dOffsets[i];
+      m_pawleyFunction->setParameter("f0.ZeroShift", newDOffset);
+
+      m_pawleyFunction->function(*(helper->domain), localValues);
+
+      for (size_t j = 0; j < localValues.size(); ++j) {
+        values.addToCalculated(j % domainSize,
+                               localValues[j] * helper->factors[j]);
+      }
+    }
+
+    m_pawleyFunction->setParameter("f0.ZeroShift", 0.0);
+  }
+}
+
+void PoldiSpectrumPawleyFunction::functionDeriv1DSpectrum(
+    const FunctionDomain1DSpectrum &domain, Jacobian &jacobian) {
+  size_t domainSize = domain.size();
+  size_t index = domain.getWorkspaceIndex();
+  Poldi2DHelper_sptr helper = m_2dHelpers[index];
+
+  size_t ny = helper->domain->size();
+  size_t nParams = m_pawleyFunction->nParams();
+
+  if (helper) {
+    for (size_t i = 0; i < helper->dOffsets.size(); ++i) {
+      double newDOffset = helper->dOffsets[i];
+      m_pawleyFunction->setParameter("f0.ZeroShift", newDOffset);
+
+      LocalJacobian localJacobian(ny, nParams);
+      m_pawleyFunction->functionDeriv(*(helper->domain), localJacobian);
+
+      for (size_t j = 0; j < ny; ++j) {
+        size_t wrapped = j % domainSize;
+        for (size_t p = 0; p < nParams; ++p) {
+          jacobian.set(wrapped, p,
+                       jacobian.get(wrapped, p) +
+                           localJacobian.getRaw(j, p) * helper->factors[j]);
+        }
+      }
+    }
+
+    m_pawleyFunction->setParameter("f0.ZeroShift", 0.0);
+  }
+}
+
+void
+PoldiSpectrumPawleyFunction::poldiFunction1D(const std::vector<int> &indices,
+                                             const FunctionDomain1D &domain,
+                                             FunctionValues &values) const {}
+
+IPawleyFunction_sptr PoldiSpectrumPawleyFunction::getPawleyFunction() const {
+    return m_pawleyFunction;
+}
+
+void PoldiSpectrumPawleyFunction::beforeDecoratedFunctionSet(const IFunction_sptr &fn)
+{
+    IPawleyFunction_sptr pawleyFunction =
+        boost::dynamic_pointer_cast<IPawleyFunction>(fn);
+
+    if (!pawleyFunction) {
+      throw std::invalid_argument("Function is not a pawley function.");
+    }
+
+    m_pawleyFunction = pawleyFunction;
+}
+
+DECLARE_FUNCTION(PoldiSpectrumPawleyFunction)
+
+} // namespace Poldi
+} // namespace Mantid

Code/Mantid/Framework/SINQ/test/PoldiSpectrumPawleyFunctionTest.h

+#ifndef MANTID_SINQ_POLDISPECTRUMPAWLEYFUNCTIONTEST_H_
+#define MANTID_SINQ_POLDISPECTRUMPAWLEYFUNCTIONTEST_H_
+
+#include <cxxtest/TestSuite.h>
+
+#include "MantidSINQ/PoldiUtilities/PoldiSpectrumPawleyFunction.h"
+
+using Mantid::SINQ::PoldiSpectrumPawleyFunction;
+using namespace Mantid::API;
+
+class PoldiSpectrumPawleyFunctionTest : public CxxTest::TestSuite
+{
+public:
+  // This pair of boilerplate methods prevent the suite being created statically
+  // This means the constructor isn't called when running other tests
+  static PoldiSpectrumPawleyFunctionTest *createSuite() { return new PoldiSpectrumPawleyFunctionTest(); }
+  static void destroySuite( PoldiSpectrumPawleyFunctionTest *suite ) { delete suite; }
+
+
+  void test_Something()
+  {
+    TSM_ASSERT( "You forgot to write a test!", 0);
+  }
+
+
+};
+
+
+#endif /* MANTID_SINQ_POLDISPECTRUMPAWLEYFUNCTIONTEST_H_ */
\ No newline at end of file