From 0e11df64fe090e5dfe7d8179f3a4cb549baf9cd3 Mon Sep 17 00:00:00 2001
From: Andrei Savici <saviciat@ornl.gov>
Date: Wed, 15 Aug 2018 17:21:28 -0400
Subject: [PATCH] MDNormDirectSC can now handle merged MDEventWorkspaces
---
.../inc/MantidMDAlgorithms/MDNormDirectSC.h | 7 +-
Framework/MDAlgorithms/src/MDNormDirectSC.cpp | 65 +++++++++++--------
docs/source/algorithms/MDNormDirectSC-v1.rst | 8 +--
.../release/v3.14.0/direct_inelastic.rst | 7 +-
4 files changed, 48 insertions(+), 39 deletions(-)
diff --git a/Framework/MDAlgorithms/inc/MantidMDAlgorithms/MDNormDirectSC.h b/Framework/MDAlgorithms/inc/MantidMDAlgorithms/MDNormDirectSC.h
index 8239e467729..8c2825335fa 100644
--- a/Framework/MDAlgorithms/inc/MantidMDAlgorithms/MDNormDirectSC.h
+++ b/Framework/MDAlgorithms/inc/MantidMDAlgorithms/MDNormDirectSC.h
@@ -55,13 +55,13 @@ private:
DataObjects::MDHistoWorkspace_sptr binInputWS();
void createNormalizationWS(const DataObjects::MDHistoWorkspace &dataWS);
std::vector<coord_t>
- getValuesFromOtherDimensions(bool &skipNormalization) const;
+ getValuesFromOtherDimensions(bool &skipNormalization, uint16_t expInfoIndex=0) const;
Kernel::Matrix<coord_t>
findIntergratedDimensions(const std::vector<coord_t> &otherDimValues,
bool &skipNormalization);
void cacheDimensionXValues();
void calculateNormalization(const std::vector<coord_t> &otherValues,
- const Kernel::Matrix<coord_t> &affineTrans);
+ const Kernel::Matrix<coord_t> &affineTrans, uint16_t expInfoIndex);
void calculateIntersections(std::vector<std::array<double, 4>> &intersections,
const double theta, const double phi);
@@ -88,7 +88,10 @@ private:
Kernel::V3D m_beamDir;
/// ki-kf for Inelastic convention; kf-ki for Crystallography convention
std::string convention;
+ /// internal flag to accumulate to an existing workspace
bool m_accumulate{false};
+ /// number of experiment infos
+ uint16_t m_numExptInfos;
};
} // namespace MDAlgorithms
diff --git a/Framework/MDAlgorithms/src/MDNormDirectSC.cpp b/Framework/MDAlgorithms/src/MDNormDirectSC.cpp
index 2feb1ff6a12..97bd1c18f2c 100644
--- a/Framework/MDAlgorithms/src/MDNormDirectSC.cpp
+++ b/Framework/MDAlgorithms/src/MDNormDirectSC.cpp
@@ -142,22 +142,31 @@ void MDNormDirectSC::exec() {
m_normWS->setDisplayNormalization(Mantid::API::NoNormalization);
setProperty("OutputNormalizationWorkspace", m_normWS);
- // Check for other dimensions if we could measure anything in the original
- // data
- bool skipNormalization = false;
- const std::vector<coord_t> otherValues =
- getValuesFromOtherDimensions(skipNormalization);
- const auto affineTrans =
- findIntergratedDimensions(otherValues, skipNormalization);
- cacheDimensionXValues();
-
- if (!skipNormalization) {
- calculateNormalization(otherValues, affineTrans);
- } else {
- g_log.warning("Binning limits are outside the limits of the MDWorkspace. "
- "Not applying normalization.");
+ m_numExptInfos = outputWS->getNumExperimentInfo();
+ // loop over all experiment infos
+ for (uint16_t expInfoIndex=0; expInfoIndex < m_numExptInfos; expInfoIndex++)
+ {
+ if (expInfoIndex > 0) {
+ m_accumulate = true;
+ }
+ // Check for other dimensions if we could measure anything in the original
+ // data
+ bool skipNormalization = false;
+ const std::vector<coord_t> otherValues =
+ getValuesFromOtherDimensions(skipNormalization,expInfoIndex);
+ const auto affineTrans =
+ findIntergratedDimensions(otherValues, skipNormalization);
+ cacheDimensionXValues();
+
+ if (!skipNormalization) {
+ calculateNormalization(otherValues, affineTrans,expInfoIndex);
+ } else {
+ g_log.warning("Binning limits are outside the limits of the MDWorkspace. "
+ "Not applying normalization.");
+ }
}
+
// Set the display normalization based on the input workspace
outputWS->setDisplayNormalization(m_inputWS->displayNormalizationHisto());
}
@@ -299,8 +308,8 @@ void MDNormDirectSC::createNormalizationWS(const MDHistoWorkspace &dataWS) {
* MD position calculation
*/
std::vector<coord_t>
-MDNormDirectSC::getValuesFromOtherDimensions(bool &skipNormalization) const {
- const auto &runZero = m_inputWS->getExperimentInfo(0)->run();
+MDNormDirectSC::getValuesFromOtherDimensions(bool &skipNormalization, uint16_t expInfoIndex) const {
+ const auto ¤tRun = m_inputWS->getExperimentInfo(expInfoIndex)->run();
std::vector<coord_t> otherDimValues;
for (size_t i = 4; i < m_inputWS->getNumDims(); i++) {
@@ -308,7 +317,7 @@ MDNormDirectSC::getValuesFromOtherDimensions(bool &skipNormalization) const {
float dimMin = static_cast<float>(dimension->getMinimum());
float dimMax = static_cast<float>(dimension->getMaximum());
auto *dimProp = dynamic_cast<Kernel::TimeSeriesProperty<double> *>(
- runZero.getProperty(dimension->getName()));
+ currentRun.getProperty(dimension->getName()));
if (dimProp) {
coord_t value = static_cast<coord_t>(dimProp->firstValue());
otherDimValues.push_back(value);
@@ -396,7 +405,8 @@ Kernel::Matrix<coord_t> MDNormDirectSC::findIntergratedDimensions(
}
/**
- * Stores the X values from each H,K,L dimension as member variables
+ * Stores the X values from each H,K,L,E dimension as member variables
+ * Energy dimension is transformed to final wavevector.
*/
void MDNormDirectSC::cacheDimensionXValues() {
constexpr double energyToK = 8.0 * M_PI * M_PI *
@@ -442,17 +452,17 @@ void MDNormDirectSC::cacheDimensionXValues() {
* @param otherValues
* @param affineTrans
*/
-void MDNormDirectSC::calculateNormalization(
- const std::vector<coord_t> &otherValues,
- const Kernel::Matrix<coord_t> &affineTrans) {
+void MDNormDirectSC::calculateNormalization(const std::vector<coord_t> &otherValues,
+ const Kernel::Matrix<coord_t> &affineTrans,
+ uint16_t expInfoIndex) {
constexpr double energyToK = 8.0 * M_PI * M_PI *
PhysicalConstants::NeutronMass *
PhysicalConstants::meV * 1e-20 /
(PhysicalConstants::h * PhysicalConstants::h);
- const auto &exptInfoZero = *(m_inputWS->getExperimentInfo(0));
+ const auto ¤tExptInfo = *(m_inputWS->getExperimentInfo(expInfoIndex));
using VectorDoubleProperty = Kernel::PropertyWithValue<std::vector<double>>;
auto *rubwLog =
- dynamic_cast<VectorDoubleProperty *>(exptInfoZero.getLog("RUBW_MATRIX"));
+ dynamic_cast<VectorDoubleProperty *>(currentExptInfo.getLog("RUBW_MATRIX"));
if (!rubwLog) {
throw std::runtime_error(
"Wokspace does not contain a log entry for the RUBW matrix."
@@ -460,12 +470,12 @@ void MDNormDirectSC::calculateNormalization(
} else {
Kernel::DblMatrix rubwValue(
(*rubwLog)()); // includes the 2*pi factor but not goniometer for now :)
- m_rubw = exptInfoZero.run().getGoniometerMatrix() * rubwValue;
+ m_rubw = currentExptInfo.run().getGoniometerMatrix() * rubwValue;
m_rubw.Invert();
}
- const double protonCharge = exptInfoZero.run().getProtonCharge();
+ const double protonCharge = currentExptInfo.run().getProtonCharge();
- const auto &spectrumInfo = exptInfoZero.spectrumInfo();
+ const auto &spectrumInfo = currentExptInfo.spectrumInfo();
// Mapping
const int64_t ndets = static_cast<int64_t>(spectrumInfo.size());
@@ -482,7 +492,8 @@ void MDNormDirectSC::calculateNormalization(
std::vector<std::atomic<signal_t>> signalArray(m_normWS->getNPoints());
std::vector<std::array<double, 4>> intersections;
std::vector<coord_t> pos, posNew;
- auto prog = make_unique<API::Progress>(this, 0.3, 1.0, ndets);
+ double progStep = 0.7/m_numExptInfos;
+ auto prog = make_unique<API::Progress>(this, 0.3 + progStep * expInfoIndex, 0.3 + progStep * (expInfoIndex + 1.), ndets);
// cppcheck-suppress syntaxError
PRAGMA_OMP(parallel for private(intersections, pos, posNew))
for (int64_t i = 0; i < ndets; i++) {
diff --git a/docs/source/algorithms/MDNormDirectSC-v1.rst b/docs/source/algorithms/MDNormDirectSC-v1.rst
index 353dbdbe8a1..bb20fb152b4 100644
--- a/docs/source/algorithms/MDNormDirectSC-v1.rst
+++ b/docs/source/algorithms/MDNormDirectSC-v1.rst
@@ -14,17 +14,15 @@ The algorithm calculates a normalization MD workspace for single crystal direct
Trajectories of each detector in reciprocal space are calculated, and the flux is integrated between intersections with each
MDBox. A brief introduction to the multi-dimensional data normalization can be found :ref:`here <MDNorm>`.
-.. Note::
-
- This is an experimental algorithm in Release 3.3. Please check the nightly Mantid build, and the Mantid webpage
- for better offline help and usage examples.
-
.. Note::
If the MDEvent input workspace is generated from an event workspace, the algorithm gives the correct normalization
only if the event workspace is cropped and binned to the same energy transfer range. If the workspace is not cropped,
one might have events in places where the normalization is calculated to be 0.
+.. Note::
+
+ As of :ref:`Release 3.14.0 <v3.14.0>`, the algorithm can handle merged MD workspaces. Make sure all original MDEvent workspaces have the same dimensions
Usage
-----
diff --git a/docs/source/release/v3.14.0/direct_inelastic.rst b/docs/source/release/v3.14.0/direct_inelastic.rst
index bd9955f081f..9188a52307d 100644
--- a/docs/source/release/v3.14.0/direct_inelastic.rst
+++ b/docs/source/release/v3.14.0/direct_inelastic.rst
@@ -25,11 +25,8 @@ Improvements
- Improved ``Save``-section of the TOFTOF reduction dialog.
- Behavior of the :ref:`LoadDNSLegacy <algm-LoadDNSLegacy>` for TOF data has been changed: the algorithm does not try to guess elastic channel any more, but asks for the user input.
+- :ref:`LoadDNSSCD <algm-LoadDNSSCD>` has been improved to be able to load TOF data.
+- :ref:`MDNormDirectSC <algm-MDNormDirectSC>` now can handle merged MD workspaces.
:ref:`Release 3.14.0 <v3.14.0>`
-
-Improvements
-############
-
-- :ref:`LoadDNSSCD <algm-LoadDNSSCD>` has been improved to be able to load TOF data.
--
GitLab