From 08826bed084801bbd5bf217d9f692057bc9f96bb Mon Sep 17 00:00:00 2001
From: Owen Arnold <owen.arnold@stfc.ac.uk>
Date: Tue, 3 Dec 2013 11:50:03 +0000
Subject: [PATCH] refs #8371. toLam functionality implemented.
Start work on toLam functionality using convert_to_wavlength.py as guide. Only the detector side of things has been implemented thus far, but test coverage is quite good, and I have implemented the pieces that mean that detector id ranges can be used.
---
.../Framework/Algorithms/CMakeLists.txt | 1 +
.../ReflectometryReductionOne.h | 15 ++--
.../src/ReflectometryReductionOne.cpp | 75 +++++++++++++++++--
.../test/ReflectometryReductionOneTest.h | 69 +++++++++++++++++
.../ReflectometryReductionOneTest.py | 21 +++++-
5 files changed, 164 insertions(+), 17 deletions(-)
create mode 100644 Code/Mantid/Framework/Algorithms/test/ReflectometryReductionOneTest.h
diff --git a/Code/Mantid/Framework/Algorithms/CMakeLists.txt b/Code/Mantid/Framework/Algorithms/CMakeLists.txt
index cd328f34b14..74aa53ac57a 100644
--- a/Code/Mantid/Framework/Algorithms/CMakeLists.txt
+++ b/Code/Mantid/Framework/Algorithms/CMakeLists.txt
@@ -606,6 +606,7 @@ set ( TEST_FILES
RebinTest.h
RebinToWorkspaceTest.h
RebunchTest.h
+ ReflectometryReductionOneTest.h
RegroupTest.h
RemoveBinsTest.h
RemoveExpDecayTest.h
diff --git a/Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/ReflectometryReductionOne.h b/Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/ReflectometryReductionOne.h
index 1bee126b82d..e08b60c71ad 100644
--- a/Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/ReflectometryReductionOne.h
+++ b/Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/ReflectometryReductionOne.h
@@ -38,19 +38,24 @@ namespace Algorithms
class DLLExport ReflectometryReductionOne : public API::DataProcessorAlgorithm
{
public:
+
+ // Class typedefs
+ typedef boost::tuple<double, double> MinMax;
+ typedef boost::optional<double> OptionalDouble;
+ typedef boost::optional<Mantid::API::MatrixWorkspace_sptr> OptionalMatrixWorkspace_sptr;
+ typedef std::vector<int> WorkspaceIndexList;
+ typedef boost::optional< std::vector< int > > OptionalWorkspaceIndexes;
+
ReflectometryReductionOne();
virtual ~ReflectometryReductionOne();
virtual const std::string name() const;
virtual int version() const;
virtual const std::string category() const;
+ Mantid::API::MatrixWorkspace_sptr toLam(Mantid::API::MatrixWorkspace_sptr toConvert, const WorkspaceIndexList& detectorIndexRange, const int monitorIndex, const MinMax& wavelengthMinMax, const MinMax& backgroundMinMax);
private:
- typedef boost::tuple<double, double> MinMax;
- typedef boost::optional<double> OptionalDouble;
- typedef boost::optional<Mantid::API::MatrixWorkspace_sptr> OptionalMatrixWorkspace_sptr;
- typedef std::vector<int> WorkspaceIndexList;
- typedef boost::optional< std::vector< int > > OptionalWorkspaceIndexes;
+
bool isPropertyDefault(const std::string& propertyName) const;
WorkspaceIndexList getWorkspaceIndexList();
void fetchOptionalLowerUpperPropertyValue(const std::string& propertyName, bool isPointDetector, OptionalWorkspaceIndexes& optionalUpperLower);
diff --git a/Code/Mantid/Framework/Algorithms/src/ReflectometryReductionOne.cpp b/Code/Mantid/Framework/Algorithms/src/ReflectometryReductionOne.cpp
index 6af29184d39..54c6df6138e 100644
--- a/Code/Mantid/Framework/Algorithms/src/ReflectometryReductionOne.cpp
+++ b/Code/Mantid/Framework/Algorithms/src/ReflectometryReductionOne.cpp
@@ -5,6 +5,7 @@
#include "MantidAlgorithms/ReflectometryReductionOne.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/WorkspaceValidators.h"
+#include "MantidAPI/WorkspaceFactory.h"
#include "MantidKernel/ListValidator.h"
#include "MantidKernel/MandatoryValidator.h"
#include "MantidKernel/BoundedValidator.h"
@@ -300,6 +301,68 @@ namespace Mantid
}
}
+ /*
+ WorkspaceIndexList getSpectrumIds(const WorkspaceIndexList& workspaceIds)
+ {
+ // Get spectrum ID.
+ WorkspaceIndexList detectorSpectrumIdRange;
+ for(size_t i = 0; i < detectorIndexRange.size(); ++i)
+ {
+ auto spectrum = inLam->getSpectrum(detectorIndexRange[i]);
+ specid_t specId = spectrum->getSpectrumNo();
+ detectorSpectrumIdRange.push_back(specId);
+ }
+ }
+ */
+
+ MatrixWorkspace_sptr ReflectometryReductionOne::toLam(MatrixWorkspace_sptr toConvert,
+ const WorkspaceIndexList& detectorIndexRange, const int monitorIndex,
+ const MinMax& wavelengthMinMax, const MinMax& backgroundMinMax)
+ {
+ MatrixWorkspace_sptr detectorWS;
+ for (size_t i = 0; i < detectorIndexRange.size(); i += 2)
+ {
+ auto cropWorkspaceAlg = this->createChildAlgorithm("CropWorkspace");
+ cropWorkspaceAlg->initialize();
+ cropWorkspaceAlg->setProperty("InputWorkspace", toConvert);
+ cropWorkspaceAlg->setProperty("StartWorkspaceIndex", detectorIndexRange[i]);
+ cropWorkspaceAlg->setProperty("EndWorkspaceIndex", detectorIndexRange[i + 1]);
+
+ cropWorkspaceAlg->execute();
+ MatrixWorkspace_sptr subRange = cropWorkspaceAlg->getProperty("OutputWorkspace");
+ if (i == 0)
+ {
+ detectorWS = subRange;
+ }
+ else
+ {
+ auto conjoinWorkspaceAlg = this->createChildAlgorithm("ConjoinWorkspaces");
+ conjoinWorkspaceAlg->initialize();
+ conjoinWorkspaceAlg->setProperty("InputWorkspace1", detectorWS);
+ conjoinWorkspaceAlg->setProperty("InputWorkspace2", subRange);
+ conjoinWorkspaceAlg->execute();
+ detectorWS = conjoinWorkspaceAlg->getProperty("InputWorkspace1");
+ }
+ }
+
+ auto convertUnitsAlg = this->createChildAlgorithm("ConvertUnits");
+ convertUnitsAlg->initialize();
+ convertUnitsAlg->setProperty("InputWorkspace", detectorWS);
+ convertUnitsAlg->setProperty("Target", "Wavelength");
+ convertUnitsAlg->setProperty("AlignBins", true);
+ convertUnitsAlg->execute();
+ detectorWS = convertUnitsAlg->getProperty("OutputWorkspace");
+
+ auto cropWorkspaceAlg = this->createChildAlgorithm("CropWorkspace");
+ cropWorkspaceAlg->initialize();
+ cropWorkspaceAlg->setProperty("InputWorkspace", detectorWS);
+ cropWorkspaceAlg->setProperty("XMin", wavelengthMinMax.get<0>());
+ cropWorkspaceAlg->setProperty("XMax", wavelengthMinMax.get<1>());
+ cropWorkspaceAlg->execute();
+ detectorWS = cropWorkspaceAlg->getProperty("OutputWorkspace");
+
+ return detectorWS;
+ }
//----------------------------------------------------------------------------------------------
/** Execute the algorithm.
@@ -338,15 +401,11 @@ namespace Mantid
OptionalWorkspaceIndexes directBeam;
fetchOptionalLowerUpperPropertyValue("RegionOfDirectBeam", isPointDetector, directBeam);
- auto cloneAlg = this->createChildAlgorithm("CloneWorkspace");
- cloneAlg->initialize();
- cloneAlg->setProperty("InputWorkspace", runWS);
- cloneAlg->setPropertyValue("OutputWorkspace", "OutWS");
- cloneAlg->execute();
- Workspace_sptr cloned = cloneAlg->getProperty("OutputWorkspace");
+ const int i0MonitorIndex = getProperty("I0MonitorIndex");
+
+ auto outWS = toLam(runWS, indexList, i0MonitorIndex, wavelengthInterval, monitorBackgroundWavelengthInterval);
- setProperty("OutputWorkspace", cloned);
- // Convert To Lambda.
+ setProperty("OutputWorkspace", outWS);
}
diff --git a/Code/Mantid/Framework/Algorithms/test/ReflectometryReductionOneTest.h b/Code/Mantid/Framework/Algorithms/test/ReflectometryReductionOneTest.h
new file mode 100644
index 00000000000..d5a492b8294
--- /dev/null
+++ b/Code/Mantid/Framework/Algorithms/test/ReflectometryReductionOneTest.h
@@ -0,0 +1,69 @@
+
+#ifndef REFLECTOMETRYREDUCTIONONETEST_H_
+#define REFLECTOMETRYREDUCTIONONETEST_H_
+
+#include <cxxtest/TestSuite.h>
+#include <algorithm>
+#include "MantidAlgorithms/ReflectometryReductionOne.h"
+#include "MantidAPI/AlgorithmManager.h"
+
+using namespace Mantid;
+using namespace Mantid::Kernel;
+using namespace Mantid::API;
+using Mantid::Algorithms::ReflectometryReductionOne;
+
+class ReflectometryReductionOneTest : public CxxTest::TestSuite
+{
+public:
+
+ void test_tolam()
+ {
+ auto loadAlg = AlgorithmManager::Instance().create("Load");
+ loadAlg->initialize();
+ loadAlg->setProperty("Filename", "INTER00013460.nxs");
+ loadAlg->setPropertyValue("OutputWorkspace", "demo");
+ loadAlg->execute();
+
+ MatrixWorkspace_sptr toConvert = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>("demo");
+ std::vector<int> detectorIndexRange;
+ size_t workspaceIndexToKeep1 = 3;
+ size_t workspaceIndexToKeep2 = 4;
+
+ specid_t specId1 = toConvert->getSpectrum(workspaceIndexToKeep1)->getSpectrumNo();
+ specid_t specId2 = toConvert->getSpectrum(workspaceIndexToKeep2)->getSpectrumNo();
+ // Define one spectra to keep
+ detectorIndexRange.push_back(workspaceIndexToKeep1);
+ detectorIndexRange.push_back(workspaceIndexToKeep1);
+ // Define another spectra to keep
+ detectorIndexRange.push_back(workspaceIndexToKeep2);
+ detectorIndexRange.push_back(workspaceIndexToKeep2);
+ // Define a wavelength range for the detector workspace
+ const double wavelengthMin = 10;
+ const double wavelengthMax = 15;
+
+ ReflectometryReductionOne alg;
+ MatrixWorkspace_sptr inLam = alg.toLam(toConvert, detectorIndexRange, 0, boost::tuple<double, double>(wavelengthMin, wavelengthMax), boost::tuple<double, double>(0, 0));
+
+ TS_ASSERT_EQUALS("Wavelength", inLam->getAxis(0)->unit()->unitID());
+
+ // Check the number of spectrum kept.
+ TS_ASSERT_EQUALS(2, inLam->getNumberHistograms());
+
+ auto map = inLam->getSpectrumToWorkspaceIndexMap();
+ // Check the spectrum ids retained.
+ TS_ASSERT_EQUALS(map[specId1], 0);
+ TS_ASSERT_EQUALS(map[specId2], 1);
+
+ // Check the cropped x range
+ Mantid::MantidVec copyX = inLam->readX(0);
+ std::sort(copyX.begin(), copyX.end());
+ TS_ASSERT(copyX.front() >= wavelengthMin);
+ TS_ASSERT(copyX.back() <= wavelengthMax);
+
+ }
+
+};
+
+
+
+#endif /* REFLECTOMETRYREDUCTIONONETEST_H_ */
diff --git a/Code/Mantid/Framework/PythonInterface/test/python/plugins/algorithms/ReflectometryReductionOneTest.py b/Code/Mantid/Framework/PythonInterface/test/python/plugins/algorithms/ReflectometryReductionOneTest.py
index fd1c6f4f9d2..802f94342f4 100644
--- a/Code/Mantid/Framework/PythonInterface/test/python/plugins/algorithms/ReflectometryReductionOneTest.py
+++ b/Code/Mantid/Framework/PythonInterface/test/python/plugins/algorithms/ReflectometryReductionOneTest.py
@@ -1,5 +1,6 @@
import unittest
from mantid.simpleapi import *
+import mantid.api
import inspect
import re
@@ -53,7 +54,7 @@ class ReflectometryReductionOneTest(unittest.TestCase):
def construct_standard_algorithm(self):
alg = make_decorator(ReflectometryReductionOne)
- alg.set_InputWorkspace(self.__tof.getName())
+ alg.set_InputWorkspace(self.__tof)
alg.set_WavelengthMin(0.0)
alg.set_WavelengthMax(1.0)
alg.set_I0MonitorIndex(0)
@@ -65,15 +66,15 @@ class ReflectometryReductionOneTest(unittest.TestCase):
return alg
def setUp(self):
- tof = CreateWorkspace(UnitX="TOF", DataX=[0,0,0], DataY=[0,0,0], NSpec=1)
- not_tof = CreateWorkspace(UnitX="1/q", DataX=[0,0,0], DataY=[0,0,0], NSpec=1)
+ tof = CreateWorkspace(UnitX="TOF", DataX=[0,0,0,0], DataY=[0,0,0], NSpec=1)
+ not_tof = CreateWorkspace(UnitX="1/q", DataX=[0,0,0,0], DataY=[0,0,0], NSpec=1)
self.__tof = tof
self.__not_tof = not_tof
def tearDown(self):
DeleteWorkspace(self.__tof)
DeleteWorkspace(self.__not_tof)
-
+
def test_check_input_workpace_not_tof_throws(self):
alg = self.construct_standard_algorithm()
alg.set_InputWorkspace(self.__not_tof)
@@ -183,6 +184,18 @@ class ReflectometryReductionOneTest(unittest.TestCase):
alg.set_RegionOfDirectBeam([1, 0]);
self.assertRaises(ValueError, alg.execute)
+ def test_output_in_lam(self):
+ alg = self.construct_standard_algorithm()
+ real_run = Load('INTER00013460.nxs')
+ alg.set_InputWorkspace(real_run)
+ alg.set_WorkspaceIndexList([3,3,4,4])
+ out_ws = alg.execute()
+
+ self.assertTrue(isinstance(out_ws, mantid.api.MatrixWorkspace), "Should be a matrix workspace")
+ self.assertEqual("Wavelength", out_ws.getAxis(0).getUnit().unitID())
+ self.assertEqual(2, out_ws.getNumberHistograms())
+ DeleteWorkspace(real_run)
+
if __name__ == '__main__':
unittest.main()
--
GitLab