From bd6e5d76db74e8270a0a01dc7d278364da56859c Mon Sep 17 00:00:00 2001
From: Duc Le <duc.le@stfc.ac.uk>
Date: Mon, 12 Sep 2016 00:08:39 +0100
Subject: [PATCH] Re #17457 - Removed formfactor algorithm commits. Fixed typo.
---
Framework/Algorithms/CMakeLists.txt | 1 -
.../MagFormFactorCorrection.h | 73 -----------
.../src/MagFormFactorCorrection.cpp | 117 ------------------
Framework/Kernel/src/MagneticIon.cpp | 2 +-
4 files changed, 1 insertion(+), 192 deletions(-)
delete mode 100644 Framework/Algorithms/inc/MantidAlgorithms/MagFormFactorCorrection.h
delete mode 100644 Framework/Algorithms/src/MagFormFactorCorrection.cpp
diff --git a/Framework/Algorithms/CMakeLists.txt b/Framework/Algorithms/CMakeLists.txt
index 9136e1ba499..03ebe1d2ec3 100644
--- a/Framework/Algorithms/CMakeLists.txt
+++ b/Framework/Algorithms/CMakeLists.txt
@@ -153,7 +153,6 @@ set ( SRC_FILES
src/InvertMask.cpp
src/Logarithm.cpp
src/LorentzCorrection.cpp
- src/MagFormFactorCorrection.cpp
src/MaskBins.cpp
src/MaskBinsFromTable.cpp
src/MaskDetectorsIf.cpp
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/MagFormFactorCorrection.h b/Framework/Algorithms/inc/MantidAlgorithms/MagFormFactorCorrection.h
deleted file mode 100644
index 5b5bd597688..00000000000
--- a/Framework/Algorithms/inc/MantidAlgorithms/MagFormFactorCorrection.h
+++ /dev/null
@@ -1,73 +0,0 @@
-#ifndef MANTID_ALGORITHMS_SCALE_H_
-#define MANTID_ALGORITHMS_SCALE_H_
-
-//----------------------------------------------------------------------
-// Includes
-//----------------------------------------------------------------------
-#include "MantidAPI/Algorithm.h"
-
-namespace Mantid {
-namespace Algorithms {
-/** MagneticFormFactors scales the input workspace by the 1/F(Q) where F(Q)
- is the magnetic form factor for the given magnetic ion.
-
- Properties:
- <UL>
- <LI> InputWorkspace - The name of the input workspace. </LI>
- <LI> OutputWorkspace - The name of the output workspace. Can be the same as
- the input one. </LI>
- <LI> MagneticIon - The name of the magnetic ion (e.g. Fe2 for Fe2+) </LI>
- </UL>
-
- @author Manh Duc Le, STFC
- @date 08/09/2016
-
- Copyright © 2010 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 DLLExport MagFormFactorCorrection : public API::Algorithm {
-public:
- /// Algorithm's name
- const std::string name() const override { return "MagFormFactorCorrection"; }
- /// Summary of algorithms purpose
- const std::string summary() const override {
- return "MagFormFactorCorrection corrects a workspace for the magnetic form factor F(Q)"
- "by dividing S(Q,w) by F(Q).";
- }
-
- /// Algorithm's version
- int version() const override { return (1); }
- /// Algorithm's category for identification
- const std::string category() const override {
- return "CorrectionFunctions";
- }
-
-private:
- /// Initialisation code
- void init() override;
- /// Execution code
- void exec() override;
-};
-
-} // namespace Algorithms
-} // namespace Mantid
-
-#endif /*MANTID_ALGORITHMS_SCALE_H_*/
diff --git a/Framework/Algorithms/src/MagFormFactorCorrection.cpp b/Framework/Algorithms/src/MagFormFactorCorrection.cpp
deleted file mode 100644
index 0f429cea73d..00000000000
--- a/Framework/Algorithms/src/MagFormFactorCorrection.cpp
+++ /dev/null
@@ -1,117 +0,0 @@
-//----------------------------------------------------------------------
-// Includes
-//----------------------------------------------------------------------
-#include "MantidAlgorithms/MagFormFactorCorrection.h"
-#include "MantidKernel/MagneticIon.h"
-#include "MantidAPI/Axis.h"
-#include "MantidAPI/AnalysisDataService.h"
-#include "MantidAPI/MatrixWorkspace.h"
-#include "MantidAPI/WorkspaceFactory.h"
-
-
-using namespace Mantid::PhysicalConstants;
-
-namespace Mantid {
-namespace Algorithms {
-
-// Register the algorithm into the AlgorithmFactory
-DECLARE_ALGORITHM(MagFormFactorCorrection)
-
-using namespace Kernel;
-using namespace API;
-using namespace PhysicalConstants;
-
-void MagFormFactorCorrection::init() {
- declareProperty(make_unique<WorkspaceProperty<>>(
- "InputWorkspace", "", Direction::Input),
- "Workspace must have one axes with units of Q");
- declareProperty(make_unique<WorkspaceProperty<>>(
- "OutputWorkspace", "", Direction::Output),
- "Output workspace name.");
- declareProperty(
- "IonName", "",
- "The name of the ion: an element symbol with a number indicating the valence, e.g. Fe2");
- declareProperty(
- "FormFactorWorkspace", "",
- "If specified the algorithm will create a 1D workspace with the form factor vs Q"
- "with a name given by this field.");
-}
-
-void MagFormFactorCorrection::exec() {
- int64_t iax, numAxes, nQ, iQ;
- bool hasQ = false;
- std::string unitID;
- Axis *QAxis;
- std::vector<double> Qvals, FF;
- double ff;
- MatrixWorkspace_sptr inputWS = getProperty("InputWorkspace");
- MatrixWorkspace_sptr outputWS = getProperty("OutputWorkspace");
- const std::string ionNameStr = getProperty("IonName");
- const std::string ffwsStr = getProperty("FormFactorWorkspace");
- const bool isHist = inputWS->isHistogramData();
- const int64_t numHists = inputWS->getNumberHistograms();
- const int64_t specSize = inputWS->blocksize();
-
- // Checks that there is a |Q| axis.
- numAxes = inputWS->axes();
- for (iax=0; iax<numAxes; iax++) {
- QAxis = inputWS->getAxis(iax);
- unitID = QAxis->unit()->unitID();
- if (unitID=="MomentumTransfer") {
- hasQ = true;
- // Gets the list of Q values
- if (isHist || iax>0) {
- nQ = QAxis->length() - 1;
- for (iQ=0; iQ<nQ; iQ++) {
- Qvals.push_back(0.5 * (QAxis->getValue(static_cast<size_t>(iQ)) +
- QAxis->getValue(static_cast<size_t>(iQ+1))));
- }
- }
- else {
- nQ = QAxis->length();
- for (iQ=0; iQ<nQ; iQ++) {
- Qvals.push_back(QAxis->getValue(static_cast<size_t>(iQ)));
- }
- }
- break;
- }
- }
- if (!hasQ) {
- throw std::runtime_error("Expected a MatrixWorkspace with a "
- "MomentumTransfer axis. Cannot apply form factor "
- "without knowing Q.");
- }
-
- // Parses the ion name and get handle to MagneticIon object
- const MagneticIon ion = getMagneticIon(ionNameStr);
- // Gets the vector of form factor values
- FF.reserve(nQ);
- for (iQ=0; iQ<nQ; iQ++) {
- FF.push_back(ion.analyticalFormFactor(Qvals[iQ]*Qvals[iQ]));
- }
- if (!ffwsStr.empty()) {
- MatrixWorkspace_sptr ffws = API::WorkspaceFactory::Instance().create(
- "Workspace2D", 1, Qvals.size(), FF.size());
- ffws->mutableX(0).assign(Qvals.begin(), Qvals.end());
- ffws->mutableY(0).assign(FF.begin(), FF.end());
- API::AnalysisDataServiceImpl &data_store = API::AnalysisDataService::Instance();
- data_store.addOrReplace(ffwsStr, ffws);
- }
-
- // Does the actual scaling.
- outputWS = inputWS->clone();
- for (int64_t i=0; i<numHists; i++) {
- auto &Y = outputWS->dataY(i);
- auto &E = outputWS->dataY(i);
- for (int64_t j=0; j<specSize; j++) {
- ff = (iax==0) ? FF[j] : FF[i];
- Y[j] /= ff;
- E[j] /= ff;
- }
- }
-
- setProperty("OutputWorkspace", outputWS);
-}
-
-} // namespace Algorithms
-} // namespace Mantid
diff --git a/Framework/Kernel/src/MagneticIon.cpp b/Framework/Kernel/src/MagneticIon.cpp
index 20e54ae9eec..131f95633a0 100644
--- a/Framework/Kernel/src/MagneticIon.cpp
+++ b/Framework/Kernel/src/MagneticIon.cpp
@@ -603,7 +603,7 @@ constexpr double j_Am7[4][8] = {
/// Values of 5d ions from Kobayashi et al., Acta. Cryst. A67, 473480 (2011)
/// Needs an extra two parameters, and no <j6> (d-electrons, l=2)
/// Last parameter is total deviation of the analytical formular from free ion calculations.
-/// For some valences, there are multiple possible configurations (e.g. for neutron tungsten
+/// For some valences, there are multiple possible configurations (e.g. for neutral tungsten
/// we could have: 6s0 5d6, 6s1 5d5 or 6s2 5d4. The one used is noted in a comment.
/// The configuration chosen is that obtained by filling the s-shell first.
constexpr double j_Hf2[3][10] = {
--
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