From 34b7a9fad05a9982b67a71c00b4379cc188d5500 Mon Sep 17 00:00:00 2001
From: Anton Piccardo-Selg <anton.piccardo-selg@tessella.com>
Date: Wed, 14 Oct 2015 17:14:35 +0100
Subject: [PATCH] Refs #13872 Fix more unit tests for MDFrame
---
Framework/Crystal/test/FindClusterFacesTest.h | 12 ++-
.../Crystal/test/PeakClusterProjectionTest.h | 9 +-
.../ImportMDHistoWorkspaceBase.h | 5 +
.../MDAlgorithms/src/CreateMDWorkspace.cpp | 5 +-
.../src/ImportMDHistoWorkspaceBase.cpp | 101 +++++++++++++++++-
.../test/CreateMDHistoWorkspaceTest.h | 18 +++-
.../test/ImportMDHistoWorkspaceTest.h | 15 ++-
Framework/MDAlgorithms/test/LoadMDTest.h | 29 +++--
.../MantidTestHelpers/MDEventsTestHelper.h | 10 ++
9 files changed, 185 insertions(+), 19 deletions(-)
diff --git a/Framework/Crystal/test/FindClusterFacesTest.h b/Framework/Crystal/test/FindClusterFacesTest.h
index 012e4bf6d0f..a17e21ccb53 100644
--- a/Framework/Crystal/test/FindClusterFacesTest.h
+++ b/Framework/Crystal/test/FindClusterFacesTest.h
@@ -9,8 +9,11 @@
#include "MantidAPI/FrameworkManager.h"
#include "MantidDataObjects/PeaksWorkspace.h"
#include "MantidGeometry/Instrument.h"
+#include "MantidGeometry/MDGeometry/HKL.h"
#include "MantidTestHelpers/ComponentCreationHelper.h"
#include "MantidTestHelpers/MDEventsTestHelper.h"
+#include "MantidKernel/UnitLabelTypes.h"
+
#include <boost/assign/list_of.hpp>
using namespace Mantid::API;
@@ -54,7 +57,14 @@ IMDHistoWorkspace_sptr create_HKL_MDWS(double min = -10, double max = 10,
std::vector<double> errorValues(totalBins, errorValue);
mdworkspaceAlg->setProperty("ErrorInput", errorValues);
mdworkspaceAlg->setPropertyValue("Names", "H,K,L");
- mdworkspaceAlg->setPropertyValue("Units", "-,-,-");
+ std::string units = Mantid::Kernel::Units::Symbol::RLU.ascii() + "," +
+ Mantid::Kernel::Units::Symbol::RLU.ascii() + "," +
+ Mantid::Kernel::Units::Symbol::RLU.ascii();
+ std::string frames = Mantid::Geometry::HKL::HKLName + "," +
+ Mantid::Geometry::HKL::HKLName + "," +
+ Mantid::Geometry::HKL::HKLName;
+ TS_ASSERT_THROWS_NOTHING(mdworkspaceAlg->setProperty("Frames", frames));
+ TS_ASSERT_THROWS_NOTHING(mdworkspaceAlg->setProperty("Units", units));
mdworkspaceAlg->setPropertyValue("OutputWorkspace",
"IntegratePeaksMDTest_MDEWS");
mdworkspaceAlg->execute();
diff --git a/Framework/Crystal/test/PeakClusterProjectionTest.h b/Framework/Crystal/test/PeakClusterProjectionTest.h
index 59f8d147ea6..27143bd5779 100644
--- a/Framework/Crystal/test/PeakClusterProjectionTest.h
+++ b/Framework/Crystal/test/PeakClusterProjectionTest.h
@@ -63,7 +63,14 @@ private:
std::vector<double> errorValues(totalBins, errorValue);
mdworkspaceAlg->setProperty("ErrorInput", errorValues);
mdworkspaceAlg->setPropertyValue("Names", "H,K,L");
- mdworkspaceAlg->setPropertyValue("Units", "-,-,-");
+ std::string units = Mantid::Kernel::Units::Symbol::RLU.ascii() + "," +
+ Mantid::Kernel::Units::Symbol::RLU.ascii() + "," +
+ Mantid::Kernel::Units::Symbol::RLU.ascii();
+ std::string frames = Mantid::Geometry::HKL::HKLName + "," +
+ Mantid::Geometry::HKL::HKLName + "," +
+ Mantid::Geometry::HKL::HKLName;
+ TS_ASSERT_THROWS_NOTHING(mdworkspaceAlg->setProperty("Frames", frames));
+ TS_ASSERT_THROWS_NOTHING(mdworkspaceAlg->setProperty("Units", units));
mdworkspaceAlg->setPropertyValue("OutputWorkspace",
"IntegratePeaksMDTest_MDEWS");
mdworkspaceAlg->execute();
diff --git a/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ImportMDHistoWorkspaceBase.h b/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ImportMDHistoWorkspaceBase.h
index 81e9ec99362..94455e0a1a7 100644
--- a/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ImportMDHistoWorkspaceBase.h
+++ b/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ImportMDHistoWorkspaceBase.h
@@ -39,6 +39,7 @@ class DLLExport ImportMDHistoWorkspaceBase : public API::Algorithm {
public:
ImportMDHistoWorkspaceBase();
virtual ~ImportMDHistoWorkspaceBase();
+ virtual std::map<std::string, std::string> validateInputs();
protected:
/// Vector containing the number of bins in each dimension.
@@ -54,6 +55,10 @@ protected:
private:
// Product of the bins across all dimensions.
size_t m_bin_product;
+ Mantid::Geometry::MDFrame_uptr createMDFrame(std::string frame,
+ std::string unit);
+ bool checkIfFrameValid(const std::string &frame,
+ const std::vector<std::string> &targetFrames);
};
} // namespace MDAlgorithms
diff --git a/Framework/MDAlgorithms/src/CreateMDWorkspace.cpp b/Framework/MDAlgorithms/src/CreateMDWorkspace.cpp
index 72e3081434b..78f8b23defa 100644
--- a/Framework/MDAlgorithms/src/CreateMDWorkspace.cpp
+++ b/Framework/MDAlgorithms/src/CreateMDWorkspace.cpp
@@ -66,7 +66,10 @@ void CreateMDWorkspace::init() {
" **General Frame**: Any frame which is not a Q-based frame."
" **QLab**: Wave-vector converted into the lab frame."
" **QSample**: Wave-vector converted into the frame of the sample."
- " **HKL**: Wave-vector converted into the crystal's HKL indices.");
+ " **HKL**: Wave-vector converted into the crystal's HKL indices."
+ " Note if nothing is specified then the **General Frame** is being "
+ "selected. Also note that if you select a frame then this might override "
+ "your unit selection if it is not compatible with the frame.");
// Set the box controller properties
this->initBoxControllerProps("5", 1000, 5);
diff --git a/Framework/MDAlgorithms/src/ImportMDHistoWorkspaceBase.cpp b/Framework/MDAlgorithms/src/ImportMDHistoWorkspaceBase.cpp
index 59bbfbca787..84b71925e96 100644
--- a/Framework/MDAlgorithms/src/ImportMDHistoWorkspaceBase.cpp
+++ b/Framework/MDAlgorithms/src/ImportMDHistoWorkspaceBase.cpp
@@ -5,7 +5,11 @@
#include "MantidKernel/BoundedValidator.h"
#include "MantidKernel/CompositeValidator.h"
#include "MantidKernel/MandatoryValidator.h"
-
+#include "MantidGeometry/MDGeometry/QSample.h"
+#include "MantidGeometry/MDGeometry/QLab.h"
+#include "MantidGeometry/MDGeometry/HKL.h"
+#include "MantidGeometry/MDGeometry/GeneralFrame.h"
+#include "MantidGeometry/MDGeometry/MDFrameFactory.h"
#include <algorithm>
using namespace Mantid::API;
@@ -63,6 +67,17 @@ void ImportMDHistoWorkspaceBase::initGenericImportProps() {
declareProperty(new WorkspaceProperty<IMDHistoWorkspace>(
"OutputWorkspace", "", Direction::Output),
"MDHistoWorkspace reflecting the input text file.");
+ declareProperty(
+ new ArrayProperty<std::string>("Frames"),
+ " A comma separated list of the frames of each dimension. "
+ " The frames can be"
+ " **General Frame**: Any frame which is not a Q-based frame."
+ " **QLab**: Wave-vector converted into the lab frame."
+ " **QSample**: Wave-vector converted into the frame of the sample."
+ " **HKL**: Wave-vector converted into the crystal's HKL indices."
+ " Note if nothing is specified then the **General Frame** is being "
+ "selected. Also note that if you select a frame then this might override "
+ "your unit selection if it is not compatible with the frame.");
}
//----------------------------------------------------------------------------------------------
@@ -81,6 +96,7 @@ MDHistoWorkspace_sptr ImportMDHistoWorkspaceBase::createEmptyOutputWorkspace() {
std::vector<int> nbins = getProperty("NumberOfBins");
std::vector<std::string> names = getProperty("Names");
std::vector<std::string> units = getProperty("Units");
+ std::vector<std::string> frames = getProperty("Frames");
// Perform all validation on inputs
if (extents.size() != ndims * 2)
@@ -96,11 +112,26 @@ MDHistoWorkspace_sptr ImportMDHistoWorkspaceBase::createEmptyOutputWorkspace() {
throw std::invalid_argument(
"You must specify as many units as there are dimensions.");
+ // If no frames are specified we want to default to the General Frame,
+ // to ensure backward compatibility. But if they are only partly specified,
+ // then we want to throw an error. It should be either used correctly or not
+ // at all
+ if (!frames.empty() && frames.size() != ndims) {
+ throw std::invalid_argument(
+ "You must specify as many frames as there are dimensions.");
+ }
+
+ if (frames.empty()) {
+ frames.resize(ndims);
+ std::fill(frames.begin(), frames.end(), GeneralFrame::GeneralFrameName);
+ }
+
// Fabricate new dimensions from inputs
std::vector<MDHistoDimension_sptr> dimensions;
for (size_t k = 0; k < ndims; ++k) {
+ auto frame = createMDFrame(frames[k], units[k]);
dimensions.push_back(MDHistoDimension_sptr(new MDHistoDimension(
- names[k], names[k], units[k], static_cast<coord_t>(extents[k * 2]),
+ names[k], names[k], *frame, static_cast<coord_t>(extents[k * 2]),
static_cast<coord_t>(extents[(k * 2) + 1]), nbins[k])));
}
@@ -112,5 +143,71 @@ MDHistoWorkspace_sptr ImportMDHistoWorkspaceBase::createEmptyOutputWorkspace() {
return ws;
}
+/**
+ * Create an MDFrame
+ * @param frame: the selected frame
+ * @param unit: the selected unit
+ * @returns a unique pointer to an MDFrame
+ */
+MDFrame_uptr ImportMDHistoWorkspaceBase::createMDFrame(std::string frame,
+ std::string unit) {
+ auto frameFactory = makeMDFrameFactoryChain();
+ MDFrameArgument frameArg(frame, unit);
+ return frameFactory->create(frameArg);
+}
+
+std::map<std::string, std::string>
+ImportMDHistoWorkspaceBase::validateInputs() {
+ // Check Frame names
+ std::map<std::string, std::string> errors;
+ std::string framePropertyName = "Frames";
+ std::vector<std::string> frames = getProperty(framePropertyName);
+ int ndims_prop = getProperty("Dimensionality");
+ auto ndims = static_cast<size_t>(ndims_prop);
+
+ std::vector<std::string> targetFrames;
+ targetFrames.push_back(Mantid::Geometry::GeneralFrame::GeneralFrameName);
+ targetFrames.push_back(Mantid::Geometry::HKL::HKLName);
+ targetFrames.push_back(Mantid::Geometry::QLab::QLabName);
+ targetFrames.push_back(Mantid::Geometry::QSample::QSampleName);
+
+ auto isValidFrame = true;
+ for (auto it = frames.begin(); it != frames.end(); ++it) {
+ auto result = checkIfFrameValid(*it, targetFrames);
+ if (!result) {
+ isValidFrame = result;
+ }
+ }
+
+ if (!frames.empty() && frames.size() != ndims) {
+ isValidFrame = false;
+ }
+
+ if (!isValidFrame) {
+ std::string message = "The selected frames can be 'HKL', 'QSample', 'QLab' "
+ "or 'General Frame'. You must specify as many frames "
+ "as there are dimensions.";
+ errors.insert(std::make_pair(framePropertyName, message));
+ }
+ return errors;
+}
+
+/**
+ * Check if the specified frame matches a target frame
+ * @param frame: the frame name under investigation
+ * @param targetFrames: the allowed frame names
+ * @returns true if the frame name is valid else false
+ */
+bool ImportMDHistoWorkspaceBase::checkIfFrameValid(
+ const std::string &frame, const std::vector<std::string> &targetFrames) {
+ for (auto targetFrame = targetFrames.begin();
+ targetFrame != targetFrames.end(); ++targetFrame) {
+ if (*targetFrame == frame) {
+ return true;
+ }
+ }
+ return false;
+}
+
} // namespace Mantid
} // namespace MDAlgorithms
diff --git a/Framework/MDAlgorithms/test/CreateMDHistoWorkspaceTest.h b/Framework/MDAlgorithms/test/CreateMDHistoWorkspaceTest.h
index 534d7b00cde..91a31c184ba 100644
--- a/Framework/MDAlgorithms/test/CreateMDHistoWorkspaceTest.h
+++ b/Framework/MDAlgorithms/test/CreateMDHistoWorkspaceTest.h
@@ -4,7 +4,8 @@
#include <cxxtest/TestSuite.h>
#include "MantidKernel/Timer.h"
#include "MantidKernel/System.h"
-
+#include "MantidGeometry/MDGeometry/QSample.h"
+#include "MantidGeometry/MDGeometry/GeneralFrame.h"
#include "MantidMDAlgorithms/CreateMDHistoWorkspace.h"
using namespace Mantid;
@@ -103,6 +104,7 @@ public:
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Extents", "-1,1"));
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Names", "A"));
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Units", "U"));
+ TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Frames", "QSample"));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
@@ -122,7 +124,10 @@ public:
TS_ASSERT_EQUALS("A", dim1->getName());
TS_ASSERT_EQUALS("A", dim1->getDimensionId());
- TS_ASSERT_EQUALS("U", dim1->getUnits().ascii());
+ TSM_ASSERT("Should not be set to U any longer", "U" != dim1->getUnits().ascii());
+ TSM_ASSERT_THROWS_NOTHING(
+ "Should be convertible to a QSample frame",
+ dynamic_cast<const Mantid::Geometry::QSample &>(dim1->getMDFrame()));
TS_ASSERT_EQUALS(1, dim1->getMaximum());
TS_ASSERT_EQUALS(-1, dim1->getMinimum());
TS_ASSERT_EQUALS(5, dim1->getNBins());
@@ -177,6 +182,15 @@ public:
TS_ASSERT_EQUALS(2, dim1->getNBins());
TS_ASSERT_EQUALS(3, dim2->getNBins());
+ // Check frame and label
+ TSM_ASSERT("Should be set to U", "U" == dim1->getUnits().ascii());
+ TSM_ASSERT_THROWS_NOTHING(
+ "Should be convertible to a General Frame",
+ dynamic_cast<const Mantid::Geometry::GeneralFrame &>(dim1->getMDFrame()));
+ TSM_ASSERT_THROWS_NOTHING(
+ "Should be convertible to a General Frame",
+ dynamic_cast<const Mantid::Geometry::GeneralFrame &>(dim2->getMDFrame()));
+
// Check the data
double *signals = outWs->getSignalArray();
TS_ASSERT_DELTA(1, signals[0], 0.0001); // Check the first signal value
diff --git a/Framework/MDAlgorithms/test/ImportMDHistoWorkspaceTest.h b/Framework/MDAlgorithms/test/ImportMDHistoWorkspaceTest.h
index cd09e88274d..8091c8b9006 100644
--- a/Framework/MDAlgorithms/test/ImportMDHistoWorkspaceTest.h
+++ b/Framework/MDAlgorithms/test/ImportMDHistoWorkspaceTest.h
@@ -4,7 +4,7 @@
#include "MantidAPI/IMDHistoWorkspace.h"
#include "MantidKernel/ConfigService.h"
#include "MantidMDAlgorithms/ImportMDHistoWorkspace.h"
-
+#include "MantidGeometry/MDGeometry/QSample.h"
#include <cxxtest/TestSuite.h>
#include <Poco/Path.h>
@@ -277,7 +277,8 @@ public:
alg->setPropertyValue("Extents", "-1,1,-1,1,-1,1");
alg->setPropertyValue("NumberOfBins", "2,2,2");
alg->setPropertyValue("Names", "A,B,C");
- alg->setPropertyValue("Units", "U1,U2,U3");
+ alg->setPropertyValue("Units", "U,U,U");
+ TS_ASSERT_THROWS_NOTHING(alg->setPropertyValue("Frames", "QSample, QSample, QSample"));
alg->setPropertyValue("OutputWorkspace", "test_workspace");
alg->setRethrows(true);
alg->execute();
@@ -296,6 +297,16 @@ public:
// Check the dimensionality
TS_ASSERT_EQUALS(3, outWs->getNumDims());
+ // Check frame
+ for (size_t dim = 0; dim < outWs->getNumDims(); ++dim) {
+ auto dimension = outWs->getDimension(dim);
+ const auto &frame = dimension->getMDFrame();
+ TSM_ASSERT_THROWS_NOTHING(
+ "Should be convertible to a QSample frame",
+ dynamic_cast<const Mantid::Geometry::QSample &>(frame));
+ TSM_ASSERT("Should not be set to U any longer", "U" != dimension->getUnits().ascii());
+ }
+
ADS.remove("test_workspace");
}
};
diff --git a/Framework/MDAlgorithms/test/LoadMDTest.h b/Framework/MDAlgorithms/test/LoadMDTest.h
index 855729c5f34..744d40d6a2e 100644
--- a/Framework/MDAlgorithms/test/LoadMDTest.h
+++ b/Framework/MDAlgorithms/test/LoadMDTest.h
@@ -11,6 +11,7 @@
#include "MantidDataObjects/MDEventFactory.h"
#include "MantidDataObjects/MDEventWorkspace.h"
#include "MantidDataObjects/BoxControllerNeXusIO.h"
+#include "MantidGeometry/MDGeometry/QSample.h"
#include "MantidMDAlgorithms/LoadMD.h"
#include <cxxtest/TestSuite.h>
@@ -593,9 +594,11 @@ public:
/// More of an integration test as it uses both load and save.
void test_save_and_load_special_coordinates_MDEventWorkspace() {
+ Mantid::Geometry::QSample frame;
MDEventWorkspace1Lean::sptr mdeventWS =
- MDEventsTestHelper::makeMDEW<1>(10, 0.0, 10.0, 2);
- const SpecialCoordinateSystem appliedCoordinateSystem = QSample;
+ MDEventsTestHelper::makeMDEWWithFrames<1>(10, 0.0, 10.0, frame, 2);
+ const Mantid::Kernel::SpecialCoordinateSystem appliedCoordinateSystem =
+ Mantid::Kernel::SpecialCoordinateSystem::QSample;
mdeventWS->setCoordinateSystem(appliedCoordinateSystem);
auto loadedWS = testSaveAndLoadWorkspace(mdeventWS, "MDEventWorkspace");
@@ -607,9 +610,11 @@ public:
// backwards-compatability check for coordinate in log
void test_load_coordinate_system_MDEventWorkspace_from_experiment_info() {
+ Mantid::Geometry::QSample frame;
MDEventWorkspace1Lean::sptr mdeventWS =
- MDEventsTestHelper::makeMDEW<1>(10, 0.0, 10.0, 2);
- const SpecialCoordinateSystem appliedCoordinateSystem = QSample;
+ MDEventsTestHelper::makeMDEWWithFrames<1>(10, 0.0, 10.0, frame, 2);
+ const Mantid::Kernel::SpecialCoordinateSystem appliedCoordinateSystem =
+ Mantid::Kernel::SpecialCoordinateSystem::QSample;
mdeventWS->setCoordinateSystem(appliedCoordinateSystem);
// Create a log in the first experiment info to simulated an old version of
@@ -628,9 +633,11 @@ public:
}
void test_save_and_load_special_coordinates_MDHistoWorkspace() {
- auto mdhistoWS = MDEventsTestHelper::makeFakeMDHistoWorkspace(
- 2.5, 2, 10, 10.0, 3.5, "", 4.5);
- const SpecialCoordinateSystem appliedCoordinateSystem = QSample;
+ Mantid::Geometry::QSample frame;
+ auto mdhistoWS = MDEventsTestHelper::makeFakeMDHistoWorkspaceWithMDFrame(
+ 2.5, 2, frame, 10, 10.0, 3.5, "", 4.5);
+ const Mantid::Kernel::SpecialCoordinateSystem appliedCoordinateSystem =
+ Mantid::Kernel::SpecialCoordinateSystem::QSample;
mdhistoWS->setCoordinateSystem(appliedCoordinateSystem);
auto loadedWS = testSaveAndLoadWorkspace(mdhistoWS, "MDHistoWorkspace");
@@ -642,9 +649,11 @@ public:
// backwards-compatability check for coordinate in log
void test_load_coordinate_system_MDHistoWorkspace_from_experiment_info() {
- auto mdhistoWS = MDEventsTestHelper::makeFakeMDHistoWorkspace(
- 2.5, 2, 10, 10.0, 3.5, "", 4.5);
- const SpecialCoordinateSystem appliedCoordinateSystem = QSample;
+ Mantid::Geometry::QSample frame;
+ auto mdhistoWS = MDEventsTestHelper::makeFakeMDHistoWorkspaceWithMDFrame(
+ 2.5, 2, frame, 10, 10.0, 3.5, "", 4.5);
+ const Mantid::Kernel::SpecialCoordinateSystem appliedCoordinateSystem =
+ Mantid::Kernel::SpecialCoordinateSystem::QSample;
mdhistoWS->setCoordinateSystem(appliedCoordinateSystem);
// Create a log in the first experiment info to simulated an old version of
diff --git a/Framework/TestHelpers/inc/MantidTestHelpers/MDEventsTestHelper.h b/Framework/TestHelpers/inc/MantidTestHelpers/MDEventsTestHelper.h
index fea8f0e6970..ea95ef80a6e 100644
--- a/Framework/TestHelpers/inc/MantidTestHelpers/MDEventsTestHelper.h
+++ b/Framework/TestHelpers/inc/MantidTestHelpers/MDEventsTestHelper.h
@@ -246,6 +246,16 @@ makeMDEW(size_t splitInto, coord_t min, coord_t max,
return makeAnyMDEW<MDLeanEvent<nd>, nd>(splitInto, min, max, numEventsPerBox);
}
+/** Make a MDEventWorkspace with MDLeanEvents nad MDFrames*/
+template <size_t nd>
+boost::shared_ptr<MDEventWorkspace<MDLeanEvent<nd>, nd>>
+makeMDEWWithFrames(size_t splitInto, coord_t min, coord_t max,
+ const Mantid::Geometry::MDFrame &frame,
+ size_t numEventsPerBox = 0) {
+ return makeAnyMDEWWithFrames<MDLeanEvent<nd>, nd>(splitInto, min, max, frame,
+ numEventsPerBox);
+}
+
/** Make a MDEventWorkspace with MDEvents - updated to split dims by splitInto,
* not 10 */
template <size_t nd>
--
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