diff --git a/Framework/Algorithms/CMakeLists.txt b/Framework/Algorithms/CMakeLists.txt
index 905ef254889f986561813c74ff4470cb0f8b6adb..b4af35b287138a2c854d4be8f3d17fd093fabe82 100644
--- a/Framework/Algorithms/CMakeLists.txt
+++ b/Framework/Algorithms/CMakeLists.txt
@@ -21,11 +21,11 @@ set ( SRC_FILES
src/CalculateCarpenterSampleCorrection.cpp
src/CalculateCountRate.cpp
src/CalculateDIFC.cpp
+ src/CalculateDynamicRange.cpp
src/CalculateEfficiency.cpp
src/CalculateFlatBackground.cpp
src/CalculateIqt.cpp
- src/CalculatePolynomialBackground.cpp
- src/CalculateQMinMax.cpp
+ src/CalculatePolynomialBackground.cpp
src/CalculateSlits.cpp
src/CalculateTransmission.cpp
src/CalculateTransmissionBeamSpreader.cpp
@@ -352,11 +352,11 @@ set ( INC_FILES
inc/MantidAlgorithms/CalculateCarpenterSampleCorrection.h
inc/MantidAlgorithms/CalculateCountRate.h
inc/MantidAlgorithms/CalculateDIFC.h
+ inc/MantidAlgorithms/CalculateDynamicRange.h
inc/MantidAlgorithms/CalculateEfficiency.h
inc/MantidAlgorithms/CalculateFlatBackground.h
inc/MantidAlgorithms/CalculateIqt.h
- inc/MantidAlgorithms/CalculatePolynomialBackground.h
- inc/MantidAlgorithms/CalculateQMinMax.h
+ inc/MantidAlgorithms/CalculatePolynomialBackground.h
inc/MantidAlgorithms/CalculateSlits.h
inc/MantidAlgorithms/CalculateTransmission.h
inc/MantidAlgorithms/CalculateTransmissionBeamSpreader.h
@@ -697,11 +697,11 @@ set ( TEST_FILES
CalculateCarpenterSampleCorrectionTest.h
CalculateCountRateTest.h
CalculateDIFCTest.h
+ CalculateDynamicRangeTest.h
CalculateEfficiencyTest.h
CalculateFlatBackgroundTest.h
CalculateIqtTest.h
- CalculatePolynomialBackgroundTest.h
- CalculateQMinMaxTest.h
+ CalculatePolynomialBackgroundTest.h
CalculateSlitsTest.h
CalculateTransmissionBeamSpreaderTest.h
CalculateTransmissionTest.h
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/CalculateQMinMax.h b/Framework/Algorithms/inc/MantidAlgorithms/CalculateDynamicRange.h
similarity index 83%
rename from Framework/Algorithms/inc/MantidAlgorithms/CalculateQMinMax.h
rename to Framework/Algorithms/inc/MantidAlgorithms/CalculateDynamicRange.h
index fb575c24409e38f24fa8ebfe41387388959d37b8..8b0ade6dfdc7689e4ddd281234c2afc735014473 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/CalculateQMinMax.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/CalculateDynamicRange.h
@@ -1,5 +1,5 @@
-#ifndef MANTID_ALGORITHMS_CALCULATEQMINMAX_H_
-#define MANTID_ALGORITHMS_CALCULATEQMINMAX_H_
+#ifndef MANTID_ALGORITHMS_CALCULATEDYNAMICRANGE_H_
+#define MANTID_ALGORITHMS_CALCULATEDYNAMICRANGE_H_
#include "MantidAPI/Algorithm.h"
#include "MantidAlgorithms/DllConfig.h"
@@ -7,7 +7,7 @@
namespace Mantid {
namespace Algorithms {
-/** CalculateQMinMax
+/** CalculateDynamicRange
Calculates the Qmin and Qmax of SANS workspace, sets to sample logs.
@@ -32,7 +32,7 @@ namespace Algorithms {
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class MANTID_ALGORITHMS_DLL CalculateQMinMax : public API::Algorithm {
+class MANTID_ALGORITHMS_DLL CalculateDynamicRange : public API::Algorithm {
public:
const std::string name() const override;
int version() const override;
@@ -42,10 +42,9 @@ public:
private:
void init() override;
void exec() override;
- double calculateQ(double, double) const;
};
} // namespace Algorithms
} // namespace Mantid
-#endif /* MANTID_ALGORITHMS_CALCULATEQMINMAX_H_ */
+#endif /* MANTID_ALGORITHMS_CALCULATEDYNAMICRANGE_H_ */
diff --git a/Framework/Algorithms/src/CalculateQMinMax.cpp b/Framework/Algorithms/src/CalculateDynamicRange.cpp
similarity index 69%
rename from Framework/Algorithms/src/CalculateQMinMax.cpp
rename to Framework/Algorithms/src/CalculateDynamicRange.cpp
index f4e1156dd63e53b1642e791b84e217da15bad365..4f6fde170dc9e46e24cb37a8b8a67ef54e3807f1 100644
--- a/Framework/Algorithms/src/CalculateQMinMax.cpp
+++ b/Framework/Algorithms/src/CalculateDynamicRange.cpp
@@ -1,8 +1,19 @@
-#include "MantidAlgorithms/CalculateQMinMax.h"
+#include "MantidAlgorithms/CalculateDynamicRange.h"
#include "MantidAPI/Run.h"
#include "MantidAPI/SpectrumInfo.h"
#include "MantidAPI/WorkspaceUnitValidator.h"
+namespace {
+/**
+ * @param lambda : wavelength in Angstroms
+ * @param twoTheta : twoTheta in degreess
+ * @return Q : momentum transfer [Aˆ-1]
+ */
+double calculateQ(const double lambda, const double twoTheta) {
+ return (4 * M_PI * std::sin(twoTheta * (M_PI / 180) / 2)) / (lambda);
+}
+} // namespace
+
namespace Mantid {
namespace Algorithms {
@@ -14,50 +25,42 @@ using Mantid::API::WorkspaceUnitValidator;
using Mantid::Kernel::Direction;
// Register the algorithm into the AlgorithmFactory
-DECLARE_ALGORITHM(CalculateQMinMax)
+DECLARE_ALGORITHM(CalculateDynamicRange)
//----------------------------------------------------------------------------------------------
/// Algorithms name for identification. @see Algorithm::name
-const std::string CalculateQMinMax::name() const { return "CalculateQMinMax"; }
+const std::string CalculateDynamicRange::name() const {
+ return "CalculateDynamicRange";
+}
/// Algorithm's version for identification. @see Algorithm::version
-int CalculateQMinMax::version() const { return 1; }
+int CalculateDynamicRange::version() const { return 1; }
/// Algorithm's category for identification. @see Algorithm::category
-const std::string CalculateQMinMax::category() const {
+const std::string CalculateDynamicRange::category() const {
return "Utility\\Workspaces";
}
/// Algorithm's summary for use in the GUI and help. @see Algorithm::summary
-const std::string CalculateQMinMax::summary() const {
+const std::string CalculateDynamicRange::summary() const {
return "Calculates and sets Qmin and Qmax of a SANS workspace";
}
//----------------------------------------------------------------------------------------------
/** Initialize the algorithm's properties.
*/
-void CalculateQMinMax::init() {
+void CalculateDynamicRange::init() {
auto unitValidator = boost::make_shared<WorkspaceUnitValidator>("Wavelength");
declareProperty(Kernel::make_unique<WorkspaceProperty<MatrixWorkspace>>(
"Workspace", "", Direction::InOut, unitValidator),
"An input workspace.");
}
-/**
- * @param lambda : wavelength in Angstroms
- * @param twoTheta : twoTheta in degreess
- * @return Q : momentum transfer [Aˆ-1]
- */
-double CalculateQMinMax::calculateQ(const double lambda,
- const double twoTheta) const {
- return (4 * M_PI * std::sin(twoTheta * (M_PI / 180) / 2)) / (lambda);
-}
-
//----------------------------------------------------------------------------------------------
/** Execute the algorithm.
*/
-void CalculateQMinMax::exec() {
+void CalculateDynamicRange::exec() {
API::MatrixWorkspace_sptr workspace = getProperty("Workspace");
double min = std::numeric_limits<double>::max(),
max = std::numeric_limits<double>::min();
@@ -71,35 +74,19 @@ void CalculateQMinMax::exec() {
const Kernel::V3D detPos = spectrumInfo.position(index);
double r, theta, phi;
detPos.getSpherical(r, theta, phi);
- const double v1 = calculateQ(*(lambdaBinning.begin()), theta);
- const double v2 = calculateQ(*(lambdaBinning.end() - 1), theta);
- PARALLEL_CRITICAL(CalculateQMinMax) {
- if (v1 < min) {
- min = v1;
- }
- if (v2 < min) {
- min = v2;
- }
- if (v1 > max) {
- max = v1;
- }
- if (v2 > max) {
- max = v2;
- }
+ const double v1 = calculateQ(lambdaBinning.front(), theta);
+ const double v2 = calculateQ(lambdaBinning.back(), theta);
+ PARALLEL_CRITICAL(CalculateDynamicRange) {
+ min = std::min(min, std::min(v1, v2));
+ max = std::max(max, std::max(v1, v2));
}
}
}
g_log.information("Calculated QMin = " + std::to_string(min));
g_log.information("Calculated QMax = " + std::to_string(max));
auto &run = workspace->mutableRun();
- if (run.hasProperty("qmin")) {
- run.removeProperty("qmin");
- }
- if (run.hasProperty("qmax")) {
- run.removeProperty("qmax");
- }
- run.addProperty<double>("qmin", min);
- run.addProperty<double>("qmax", max);
+ run.addProperty<double>("qmin", min, true);
+ run.addProperty<double>("qmax", max, true);
}
} // namespace Algorithms
diff --git a/Framework/Algorithms/test/CalculateQMinMaxTest.h b/Framework/Algorithms/test/CalculateDynamicRangeTest.h
similarity index 81%
rename from Framework/Algorithms/test/CalculateQMinMaxTest.h
rename to Framework/Algorithms/test/CalculateDynamicRangeTest.h
index 358212af9f9b85e29ba126bc1813aec049b035f1..d107ea4bab553a27df5f3b93d02148096bf3d816 100644
--- a/Framework/Algorithms/test/CalculateQMinMaxTest.h
+++ b/Framework/Algorithms/test/CalculateDynamicRangeTest.h
@@ -1,50 +1,51 @@
-#ifndef MANTID_ALGORITHMS_CALCULATEQMINMAXTEST_H_
-#define MANTID_ALGORITHMS_CALCULATEQMINMAXTEST_H_
+#ifndef MANTID_ALGORITHMS_CALCULATEDYNAMICRANGETEST_H_
+#define MANTID_ALGORITHMS_CALCULATEDYNAMICRANGETEST_H_
#include <cxxtest/TestSuite.h>
#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/Run.h"
-#include "MantidAlgorithms/CalculateQMinMax.h"
+#include "MantidAlgorithms/CalculateDynamicRange.h"
#include "MantidAlgorithms/CreateSampleWorkspace.h"
#include "MantidDataHandling/MaskDetectorsInShape.h"
#include "MantidDataHandling/MoveInstrumentComponent.h"
#include <boost/cast.hpp>
+using Mantid::Algorithms::CalculateDynamicRange;
+using Mantid::Algorithms::CreateSampleWorkspace;
using Mantid::API::FrameworkManager;
using Mantid::API::MatrixWorkspace;
using Mantid::API::MatrixWorkspace_sptr;
using Mantid::API::Workspace;
using Mantid::API::Workspace_sptr;
-using Mantid::Algorithms::CalculateQMinMax;
-using Mantid::Algorithms::CreateSampleWorkspace;
using Mantid::DataHandling::MaskDetectorsInShape;
using Mantid::DataHandling::MoveInstrumentComponent;
-class CalculateQMinMaxTest : public CxxTest::TestSuite {
+class CalculateDynamicRangeTest : 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 CalculateQMinMaxTest *createSuite() {
- return new CalculateQMinMaxTest();
+ static CalculateDynamicRangeTest *createSuite() {
+ return new CalculateDynamicRangeTest();
}
- static void destroySuite(CalculateQMinMaxTest *suite) { delete suite; }
+ static void destroySuite(CalculateDynamicRangeTest *suite) { delete suite; }
- void setUp() override { FrameworkManager::Instance(); }
+ CalculateDynamicRangeTest() { FrameworkManager::Instance(); }
void test_init() {
- CalculateQMinMax alg;
+ CalculateDynamicRange alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize())
TS_ASSERT(alg.isInitialized())
}
void test_exec() {
- CalculateQMinMax alg;
- TS_ASSERT_THROWS_NOTHING(alg.initialize())
- TS_ASSERT(alg.isInitialized())
+ CalculateDynamicRange alg;
alg.setChild(true);
+ alg.setRethrows(true);
+ TS_ASSERT_THROWS_NOTHING(alg.initialize())
+ TS_ASSERT(alg.isInitialized())
MatrixWorkspace_sptr ws = create_workspace();
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Workspace", ws))
TS_ASSERT_THROWS_NOTHING(alg.execute(););
@@ -100,4 +101,4 @@ private:
}
};
-#endif /* MANTID_ALGORITHMS_CALCULATEQMINMAXTEST_H_ */
+#endif /* MANTID_ALGORITHMS_CALCULATEDYNAMICRANGETEST_H_ */
diff --git a/Framework/DataHandling/src/LoadILLSANS.cpp b/Framework/DataHandling/src/LoadILLSANS.cpp
index 5ca30f350fae619892349d21b214e95514dbec3b..9c4552b31a63fdb126b08fa04f18155d5494ac92 100644
--- a/Framework/DataHandling/src/LoadILLSANS.cpp
+++ b/Framework/DataHandling/src/LoadILLSANS.cpp
@@ -458,10 +458,7 @@ void LoadILLSANS::moveDetectorsD33(const DetectorPosition &detPos) {
moveDetectorVertical(-detPos.shiftDown, "front_detector_bottom");
// Set the sample log
API::Run &runDetails = m_localWorkspace->mutableRun();
- if (runDetails.hasProperty("L2")) {
- runDetails.removeProperty("L2");
- }
- runDetails.addProperty<double>("L2", detPos.distanceSampleRear);
+ runDetails.addProperty<double>("L2", detPos.distanceSampleRear, true);
}
/**
@@ -484,10 +481,7 @@ void LoadILLSANS::moveDetectorDistance(double distance,
g_log.debug() << "Moving component '" << componentName
<< "' to Z = " << distance << '\n';
API::Run &runDetails = m_localWorkspace->mutableRun();
- if (runDetails.hasProperty("L2")) {
- runDetails.removeProperty("L2");
- }
- runDetails.addProperty<double>("L2", distance);
+ runDetails.addProperty<double>("L2", distance, true);
}
/**
@@ -688,7 +682,7 @@ void LoadILLSANS::moveSource() {
* Sets the width (x) and height (y) of the pixel
*/
void LoadILLSANS::setPixelSize() {
- const auto &instrument = m_localWorkspace->getInstrument();
+ const auto instrument = m_localWorkspace->getInstrument();
const std::string component =
(m_instrumentName == "D33") ? "back_detector" : "detector";
auto detector = instrument->getComponentByName(component);
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/ILLSANSReduction.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/SANSILLReduction.py
similarity index 79%
rename from Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/ILLSANSReduction.py
rename to Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/SANSILLReduction.py
index 30c5702bc05aa82b097482a918c0e3dc10564648..37b2aaf3063e795f45dd08105d220e8e9a84fff9 100644
--- a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/ILLSANSReduction.py
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/SANSILLReduction.py
@@ -1,12 +1,12 @@
from __future__ import (absolute_import, division, print_function)
-from mantid.api import DataProcessorAlgorithm, MatrixWorkspaceProperty, MultipleFileProperty, PropertyMode
+from mantid.api import PythonAlgorithm, MatrixWorkspaceProperty, MultipleFileProperty, PropertyMode
from mantid.kernel import Direction, EnabledWhenProperty, FloatBoundedValidator, LogicOperator, PropertyCriterion, StringListValidator
from mantid.simpleapi import *
from math import fabs
-class ILLSANSReduction(DataProcessorAlgorithm):
+class SANSILLReduction(PythonAlgorithm):
def category(self):
return "ILL\\SANS"
@@ -18,21 +18,19 @@ class ILLSANSReduction(DataProcessorAlgorithm):
return []
def name(self):
- return "ILLSANSReduction"
+ return "SANSILLReduction"
def validateInputs(self):
issues = dict()
- if 'ProcessAs' == 'Transmission':
- beam = self.getProperty('BeamInputWorkspace')
- if not beam:
- issues['BeamInputWorkspace'] = 'Beam workspace is mandatory for transmission calculation.'
+ if 'ProcessAs' == 'Transmission' and self.getProperty('BeamInputWorkspace').isDefault:
+ issues['BeamInputWorkspace'] = 'Beam input workspace is mandatory for transmission calculation.'
return issues
def PyInit(self):
self.declareProperty(MultipleFileProperty('Run', extensions=['nxs']),
- doc='File path of run (s).')
+ doc='File path of run(s).')
options = ['Absorber', 'Beam', 'Transmission', 'Container', 'Reference', 'Sample']
@@ -43,7 +41,7 @@ class ILLSANSReduction(DataProcessorAlgorithm):
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspace', '',
direction=Direction.Output),
- doc='The output workspace.')
+ doc='The output workspace based on the value of ProcessAs.')
not_absorber = EnabledWhenProperty('ProcessAs', PropertyCriterion.IsNotEqualTo, 'Absorber')
@@ -70,10 +68,10 @@ class ILLSANSReduction(DataProcessorAlgorithm):
self.setPropertySettings('BeamRadius',
EnabledWhenProperty(beam, transmission, LogicOperator.Or))
- self.declareProperty('DirectBeam', True,
+ self.declareProperty('BeamFinderMethod', 'DirectBeam', StringListValidator(['DirectBeam', 'ScatteredBeam']),
doc='Use direct beam method of the beam finding, if not, use the scattered beam method.')
- self.setPropertySettings('DirectBeam', beam)
+ self.setPropertySettings('BeamFinderMethod', beam)
self.declareProperty('SampleThickness', 0.1, validator=FloatBoundedValidator(lower=0.), doc='Sample thickness [cm]')
@@ -147,7 +145,7 @@ class ILLSANSReduction(DataProcessorAlgorithm):
def _cylinder(self, radius):
"""
Returns XML for an infinite cylinder with axis of z (beam) and given radius [m]
- @oaram radius : the radius of the cylinder [m]
+ @param radius : the radius of the cylinder [m]
@return : XML string for the geometry shape
"""
@@ -203,9 +201,9 @@ class ILLSANSReduction(DataProcessorAlgorithm):
"""
centers = ws + '_centers'
- method = self.getProperty('DirectBeam').value
+ method = self.getPropertyValue('BeamFinderMethod')
radius = self.getProperty('BeamRadius').value
- FindCenterOfMassPosition(InputWorkspace=ws, DirectBeam=method, BeamRadius=radius, Output=centers)
+ FindCenterOfMassPosition(InputWorkspace=ws, DirectBeam=(method == 'DirectBeam'), BeamRadius=radius, Output=centers)
beam_x = mtd[centers].cell(0,1)
beam_y = mtd[centers].cell(1,1)
AddSampleLog(Workspace=ws, LogName='BeamCenterX', LogText=str(beam_x), LogType='Number')
@@ -214,21 +212,29 @@ class ILLSANSReduction(DataProcessorAlgorithm):
MoveInstrumentComponent(Workspace=ws, X=-beam_x, Y=-beam_y, ComponentName='detector')
integral = self._integrate_in_radius(ws, radius)
run = mtd[ws].getRun()
- att_coeff = 1.
if run.hasProperty('attenuator.attenuation_coefficient'):
att_coeff = run.getLogData('attenuator.attenuation_coefficient').value
elif run.hasProperty('attenuator.attenuation_value'):
att_coeff = run.getLogData('attenuator.attenuation_value').value
- self.log().notice('Found attenuator coefficient/value: {0}'.format(att_coeff))
+ else:
+ raise RuntimeError('Unable to process as beam: could not find attenuation coefficient nor value.')
+ self.log().information('Found attenuator coefficient/value: {0}'.format(att_coeff))
Scale(InputWorkspace=integral, Factor=att_coeff, OutputWorkspace=integral)
AddSampleLog(Workspace=ws, LogName='BeamFluxValue', LogText=str(mtd[integral].readY(0)[0]), LogType='Number')
AddSampleLog(Workspace=ws, LogName='BeamFluxError', LogText=str(mtd[integral].readE(0)[0]), LogType='Number')
DeleteWorkspace(integral)
- def _check_distances_match(self, ws1, ws2):
+ @staticmethod
+ def _check_distances_match(ws1, ws2):
+ """
+ Checks if the detector distance between two workspaces are close enough
+ @param ws1 : workspace 1
+ @param ws2 : workspace 2
+ @return true if the detector distance difference is less than 1 cm
+ """
tolerance = 0.01 #m
- l2_1 = mtd[ws1].getRun().getLogData('L2').value
- l2_2 = mtd[ws2].getRun().getLogData('L2').value
+ l2_1 = ws1.getRun().getLogData('L2').value
+ l2_2 = ws2.getRun().getLogData('L2').value
return fabs(l2_1 - l2_2) < tolerance
def PyExec(self): # noqa: C901
@@ -238,51 +244,51 @@ class ILLSANSReduction(DataProcessorAlgorithm):
LoadAndMerge(Filename=self.getPropertyValue('Run').replace(',','+'), LoaderName='LoadILLSANS', OutputWorkspace=ws)
self._normalise(ws)
ExtractMonitors(InputWorkspace=ws, DetectorWorkspace=ws)
- if process != 'Absorber':
- absorber_ws = self.getPropertyValue('AbsorberInputWorkspace')
+ if process in ['Beam', 'Transmission', 'Container', 'Reference', 'Sample']:
+ absorber_ws = self.getProperty('AbsorberInputWorkspace').value
if absorber_ws:
Minus(LHSWorkspace=ws, RHSWorkspace=absorber_ws, OutputWorkspace=ws)
if process == 'Beam':
self._process_beam(ws)
else:
- beam = self.getPropertyValue('BeamInputWorkspace')
- if beam:
- beam_x = mtd[beam].getRun().getLogData('BeamCenterX').value
- beam_y = mtd[beam].getRun().getLogData('BeamCenterY').value
+ beam_ws = self.getProperty('BeamInputWorkspace').value
+ if beam_ws:
+ beam_x = beam_ws.getRun().getLogData('BeamCenterX').value
+ beam_y = beam_ws.getRun().getLogData('BeamCenterY').value
MoveInstrumentComponent(Workspace=ws, X=-beam_x, Y=-beam_y, ComponentName='detector')
- if not self._check_distances_match(ws, beam):
+ if not self._check_distances_match(mtd[ws], beam_ws):
self.log().warning('Different detector distances found for empty beam and sample runs!')
if process == 'Transmission':
- if not self._check_distances_match(ws, beam):
+ if not self._check_distances_match(mtd[ws], beam_ws):
self.log().warning('Different detector distances found for empty beam and transmission runs!')
- RebinToWorkspace(WorkspaceToRebin=ws, WorkspaceToMatch=beam, OutputWorkspace=ws)
+ RebinToWorkspace(WorkspaceToRebin=ws, WorkspaceToMatch=beam_ws, OutputWorkspace=ws)
radius = self.getProperty('BeamRadius').value
shapeXML = self._cylinder(radius)
det_list = FindDetectorsInShape(Workspace=ws, ShapeXML=shapeXML)
- CalculateTransmission(SampleRunWorkspace=ws, DirectRunWorkspace=beam,
+ CalculateTransmission(SampleRunWorkspace=ws, DirectRunWorkspace=beam_ws,
TransmissionROI=det_list, OutputWorkspace=ws)
else:
- transmission_ws = self.getPropertyValue('TransmissionInputWorkspace')
+ transmission_ws = self.getProperty('TransmissionInputWorkspace').value
if transmission_ws:
- transmission = mtd[transmission_ws].readY(0)[0]
- transmission_err = mtd[transmission_ws].readE(0)[0]
+ transmission = transmission_ws.readY(0)[0]
+ transmission_err = transmission_ws.readE(0)[0]
ApplyTransmissionCorrection(InputWorkspace=ws, TransmissionValue=transmission,
TransmissionError=transmission_err, OutputWorkspace=ws)
solid_angle = ws + '_sa'
SolidAngle(InputWorkspace=ws, OutputWorkspace=solid_angle)
Divide(LHSWorkspace=ws, RHSWorkspace=solid_angle, OutputWorkspace=ws)
DeleteWorkspace(solid_angle)
- if process != 'Container':
- container = self.getPropertyValue('ContainerInputWorkspace')
- if container:
- if not self._check_distances_match(container, ws):
+ if process in ['Reference', 'Sample']:
+ container_ws = self.getProperty('ContainerInputWorkspace').value
+ if container_ws:
+ if not self._check_distances_match(mtd[ws], container_ws):
self.log().warning(
'Different detector distances found for container and sample runs!')
- Minus(LHSWorkspace=ws, RHSWorkspace=container, OutputWorkspace=ws)
- mask = self.getPropertyValue('MaskedInputWorkspace')
- if mask:
+ Minus(LHSWorkspace=ws, RHSWorkspace=container_ws, OutputWorkspace=ws)
+ mask_ws = self.getProperty('MaskedInputWorkspace').value
+ if mask_ws:
masked_ws = ws + '_mask'
- CloneWorkspace(InputWorkspace=mask, OutputWorkspace=masked_ws)
+ CloneWorkspace(InputWorkspace=mask_ws, OutputWorkspace=masked_ws)
ExtractMonitors(InputWorkspace=masked_ws, DetectorWorkspace=masked_ws)
MaskDetectors(Workspace=ws, MaskedWorkspace=masked_ws)
DeleteWorkspace(masked_ws)
@@ -292,40 +298,42 @@ class ILLSANSReduction(DataProcessorAlgorithm):
sensitivity_out = self.getPropertyValue('SensitivityOutputWorkspace')
if sensitivity_out:
CalculateEfficiency(InputWorkspace=ws, OutputWorkspace=sensitivity_out)
+ mtd[sensitivity_out].getRun().addProperty('ProcessedAs', 'Sensitivity', True)
self.setProperty('SensitivityOutputWorkspace', mtd[sensitivity_out])
elif process == 'Sample':
- reference = self.getPropertyValue('ReferenceInputWorkspace')
- coll_ws = ''
- if reference:
- Divide(LHSWorkspace=ws, RHSWorkspace=reference, OutputWorkspace=ws)
- coll_ws = reference
+ reference_ws = self.getProperty('ReferenceInputWorkspace').value
+ coll_ws = None
+ if reference_ws:
+ Divide(LHSWorkspace=ws, RHSWorkspace=reference_ws, OutputWorkspace=ws)
+ coll_ws = reference_ws
else:
- sensitivity_in = self.getPropertyValue('SensitivityInputWorkspace')
+ sensitivity_in = self.getProperty('SensitivityInputWorkspace').value
if sensitivity_in:
Divide(LHSWorkspace=ws, RHSWorkspace=sensitivity_in, OutputWorkspace=ws)
- if beam:
- coll_ws = beam
- flux = mtd[beam].getRun().getLogData('BeamFluxValue').value
- ferr = mtd[beam].getRun().getLogData('BeamFluxError').value
+ if beam_ws:
+ coll_ws = beam_ws
+ flux = beam_ws.getRun().getLogData('BeamFluxValue').value
+ ferr = beam_ws.getRun().getLogData('BeamFluxError').value
flux_ws = ws + '_flux'
CreateSingleValuedWorkspace(DataValue=flux, ErrorValue=ferr, OutputWorkspace=flux_ws)
Divide(LHSWorkspace=ws, RHSWorkspace=flux_ws, OutputWorkspace=ws)
DeleteWorkspace(flux_ws)
if coll_ws:
- if not self._check_distances_match(coll_ws, ws):
+ if not self._check_distances_match(mtd[ws], coll_ws):
self.log().warning(
'Different detector distances found for the reference/flux and sample runs!')
sample_coll = mtd[ws].getRun().getLogData('collimation.actual_position').value
- ref_coll = mtd[coll_ws].getRun().getLogData('collimation.actual_position').value
+ ref_coll = coll_ws.getRun().getLogData('collimation.actual_position').value
flux_factor = (sample_coll ** 2) / (ref_coll ** 2)
self.log().notice('Flux factor is: ' + str(flux_factor))
Scale(InputWorkspace=ws, Factor=flux_factor, OutputWorkspace=ws)
ReplaceSpecialValues(InputWorkspace=ws, OutputWorkspace=ws,
NaNValue=0., NaNError=0., InfinityValue=0., InfinityError=0.)
- CalculateQMinMax(Workspace=ws)
+ CalculateDynamicRange(Workspace=ws)
+ mtd[ws].getRun().addProperty('ProcessedAs', process, True)
RenameWorkspace(InputWorkspace=ws, OutputWorkspace=ws[2:])
self.setProperty('OutputWorkspace', mtd[ws[2:]])
# Register algorithm with Mantid
-AlgorithmFactory.subscribe(ILLSANSReduction)
+AlgorithmFactory.subscribe(SANSILLReduction)
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/CMakeLists.txt b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/CMakeLists.txt
index b94d4626572f745a2b06217ebffd13f26c7ec14c..6d10c935b18577dca5ef71589a4808ab1a3859bc 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/CMakeLists.txt
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/CMakeLists.txt
@@ -17,7 +17,6 @@ set ( TEST_PY_FILES
DirectILLSelfShieldingTest.py
EnergyWindowScanTest.py
FlatPlatePaalmanPingsCorrectionTest.py
- ILLSANSReductionTest.py
IndirectAnnulusAbsorptionTest.py
IndirectAnnulusAbsorption2Test.py
IndirectCalibrationTest.py
@@ -50,6 +49,7 @@ set ( TEST_PY_FILES
ResNorm2Test.py
SANSDarkRunBackgroundCorrectionTest.py
SANSFitShiftScaleTest.py
+ SANSILLReductionTest.py
SANSMaskTest.py
SANSStitchTest.py
SavePlot1DTest.py
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/ILLSANSReductionTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/SANSILLReductionTest.py
similarity index 70%
rename from Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/ILLSANSReductionTest.py
rename to Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/SANSILLReductionTest.py
index 9198c37fa19bf8f126d3839957a30313de3153f3..9a95ad9bf08d5311220190d4ea8fe07269d50de3 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/ILLSANSReductionTest.py
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/SANSILLReductionTest.py
@@ -2,10 +2,10 @@ from __future__ import (absolute_import, division, print_function)
import unittest
from mantid.api import MatrixWorkspace
-from mantid.simpleapi import ILLSANSReduction, config, mtd
+from mantid.simpleapi import SANSILLReduction, config, mtd
-class ILLSANSReductionTest(unittest.TestCase):
+class SANSILLReductionTest(unittest.TestCase):
_facility = None
@@ -19,12 +19,14 @@ class ILLSANSReductionTest(unittest.TestCase):
mtd.clear()
def test_absorber(self):
- ILLSANSReduction(Run='010462', ProcessAs='Absorber', OutputWorkspace='Cd')
+ SANSILLReduction(Run='010462', ProcessAs='Absorber', OutputWorkspace='Cd')
self._check_output(mtd['Cd'])
+ self._check_process_flag(mtd['Cd'], 'Absorber')
def test_beam(self):
- ILLSANSReduction(Run='010414', ProcessAs='Beam', OutputWorkspace='Db')
+ SANSILLReduction(Run='010414', ProcessAs='Beam', OutputWorkspace='Db')
self._check_output(mtd['Db'])
+ self._check_process_flag(mtd['Db'], 'Beam')
run = mtd['Db'].getRun()
self.assertAlmostEqual(run.getLogData('BeamCenterX').value, -0.0048, delta=1e-4)
self.assertAlmostEqual(run.getLogData('BeamCenterY').value, -0.0027, delta=1e-4)
@@ -32,23 +34,31 @@ class ILLSANSReductionTest(unittest.TestCase):
self.assertAlmostEqual(run.getLogData('BeamFluxError').value, 8554, delta=1)
def test_transmission(self):
- ILLSANSReduction(Run='010414', ProcessAs='Beam', OutputWorkspace='Db')
- ILLSANSReduction(Run='010585', ProcessAs='Transmission', BeamInputWorkspace='Db', OutputWorkspace='Tr')
+ SANSILLReduction(Run='010414', ProcessAs='Beam', OutputWorkspace='Db')
+ SANSILLReduction(Run='010585', ProcessAs='Transmission', BeamInputWorkspace='Db', OutputWorkspace='Tr')
self.assertAlmostEqual(mtd['Tr'].readY(0)[0], 0.640, delta=1e-3)
self.assertAlmostEqual(mtd['Tr'].readE(0)[0], 0.0019, delta=1e-4)
+ self._check_process_flag(mtd['Tr'], 'Transmission')
def test_container(self):
- ILLSANSReduction(Run='010460', ProcessAs='Container', OutputWorkspace='can')
+ SANSILLReduction(Run='010460', ProcessAs='Container', OutputWorkspace='can')
self._check_output(mtd['can'])
+ self._check_process_flag(mtd['can'], 'Container')
def test_reference(self):
- ILLSANSReduction(Run='010453', ProcessAs='Reference', SensitivityOutputWorkspace='sens', OutputWorkspace='water')
+ SANSILLReduction(Run='010453', ProcessAs='Reference', SensitivityOutputWorkspace='sens', OutputWorkspace='water')
self._check_output(mtd['water'])
self._check_output(mtd['sens'], logs=False)
+ self._check_process_flag(mtd['water'], 'Reference')
+ self._check_process_flag(mtd['sens'], 'Sensitivity')
def test_sample(self):
- ILLSANSReduction(Run='010569', ProcessAs='Sample', OutputWorkspace='sample')
+ SANSILLReduction(Run='010569', ProcessAs='Sample', OutputWorkspace='sample')
self._check_output(mtd['sample'])
+ self._check_process_flag(mtd['sample'], 'Sample')
+
+ def _check_process_flag(self, ws, value):
+ self.assertTrue(ws.getRun().getLogData('ProcessedAs'), value)
def _check_output(self, ws, logs=True):
self.assertTrue(ws)
diff --git a/Testing/SystemTests/tests/analysis/ILLSANSReductionTest.py b/Testing/SystemTests/tests/analysis/SANSILLReductionTest.py
similarity index 76%
rename from Testing/SystemTests/tests/analysis/ILLSANSReductionTest.py
rename to Testing/SystemTests/tests/analysis/SANSILLReductionTest.py
index 1969abaafe391345616c8531be61abb534702729..662e0c41c657e1afdb7a21886cf8100bae9f0591 100644
--- a/Testing/SystemTests/tests/analysis/ILLSANSReductionTest.py
+++ b/Testing/SystemTests/tests/analysis/SANSILLReductionTest.py
@@ -1,7 +1,7 @@
from __future__ import (absolute_import, division, print_function)
import stresstesting
-from mantid.simpleapi import ILLSANSReduction, Q1DWeighted, config, mtd
+from mantid.simpleapi import SANSILLReduction, Q1DWeighted, config, mtd
class ILL_D11_Test(stresstesting.MantidStressTest):
@@ -26,48 +26,48 @@ class ILL_D11_Test(stresstesting.MantidStressTest):
def runTest(self):
# Process the dark current Cd/B4C for water
- ILLSANSReduction(Run='010455.nxs', ProcessAs='Absorber', OutputWorkspace='Cdw')
+ SANSILLReduction(Run='010455.nxs', ProcessAs='Absorber', OutputWorkspace='Cdw')
# Process the empty beam for water
- ILLSANSReduction(Run='010414.nxs', ProcessAs='Beam', AbsorberInputWorkspace='Cdw', OutputWorkspace='Dbw')
+ SANSILLReduction(Run='010414.nxs', ProcessAs='Beam', AbsorberInputWorkspace='Cdw', OutputWorkspace='Dbw')
# Water container transmission
- ILLSANSReduction(Run='010446.nxs', ProcessAs='Transmission', AbsorberInputWorkspace='Cdw',
+ SANSILLReduction(Run='010446.nxs', ProcessAs='Transmission', AbsorberInputWorkspace='Cdw',
BeamInputWorkspace='Dbw', OutputWorkspace='wc_tr')
# Water container
- ILLSANSReduction(Run='010454.nxs', ProcessAs='Container', AbsorberInputWorkspace='Cdw',
+ SANSILLReduction(Run='010454.nxs', ProcessAs='Container', AbsorberInputWorkspace='Cdw',
BeamInputWorkspace='Dbw', TransmissionInputWorkspace='wc_tr', OutputWorkspace='wc')
# Water transmission
- ILLSANSReduction(Run='010445.nxs', ProcessAs='Transmission', AbsorberInputWorkspace='Cdw',
+ SANSILLReduction(Run='010445.nxs', ProcessAs='Transmission', AbsorberInputWorkspace='Cdw',
BeamInputWorkspace='Dbw', OutputWorkspace='w_tr')
# Water
- ILLSANSReduction(Run='010453.nxs', ProcessAs='Reference', AbsorberInputWorkspace='Cdw',
+ SANSILLReduction(Run='010453.nxs', ProcessAs='Reference', AbsorberInputWorkspace='Cdw',
ContainerInputWorkspace='wc', BeamInputWorkspace='Dbw', TransmissionInputWorkspace='wc_tr',
SensitivityOutputWorkspace='sens', OutputWorkspace='water')
# Process the dark current Cd/B4C for sample
- ILLSANSReduction(Run='010462.nxs', ProcessAs='Absorber', OutputWorkspace='Cd')
+ SANSILLReduction(Run='010462.nxs', ProcessAs='Absorber', OutputWorkspace='Cd')
# Process the empty beam for sample
- ILLSANSReduction(Run='010413.nxs', ProcessAs='Beam', AbsorberInputWorkspace='Cd', OutputWorkspace='Db')
+ SANSILLReduction(Run='010413.nxs', ProcessAs='Beam', AbsorberInputWorkspace='Cd', OutputWorkspace='Db')
# Sample container transmission
- ILLSANSReduction(Run='010444.nxs', ProcessAs='Transmission', AbsorberInputWorkspace='Cd',
+ SANSILLReduction(Run='010444.nxs', ProcessAs='Transmission', AbsorberInputWorkspace='Cd',
BeamInputWorkspace='Dbw', OutputWorkspace='sc_tr')
# Sample container
- ILLSANSReduction(Run='010460.nxs', ProcessAs='Container', AbsorberInputWorkspace='Cd', BeamInputWorkspace='Db',
+ SANSILLReduction(Run='010460.nxs', ProcessAs='Container', AbsorberInputWorkspace='Cd', BeamInputWorkspace='Db',
TransmissionInputWorkspace='sc_tr', OutputWorkspace='sc')
# Sample transmission
- ILLSANSReduction(Run='010585.nxs', ProcessAs='Transmission', AbsorberInputWorkspace='Cd', BeamInputWorkspace='Dbw',
+ SANSILLReduction(Run='010585.nxs', ProcessAs='Transmission', AbsorberInputWorkspace='Cd', BeamInputWorkspace='Dbw',
OutputWorkspace='s_tr')
# Sample
- ILLSANSReduction(Run='010569.nxs', ProcessAs='Sample', AbsorberInputWorkspace='Cd', ContainerInputWorkspace='sc',
+ SANSILLReduction(Run='010569.nxs', ProcessAs='Sample', AbsorberInputWorkspace='Cd', ContainerInputWorkspace='sc',
BeamInputWorkspace='Db', SensitivityInputWorkspace='sens',
TransmissionInputWorkspace='s_tr', OutputWorkspace='sample_flux')
diff --git a/docs/source/algorithms/CalculateQMinMax-v1.rst b/docs/source/algorithms/CalculateDynamicRange-v1.rst
similarity index 78%
rename from docs/source/algorithms/CalculateQMinMax-v1.rst
rename to docs/source/algorithms/CalculateDynamicRange-v1.rst
index 25fa41b328fe79ecba70c740550fa58681a06afe..8f1884b4539d507f8a504d9608e952a643fd1719 100644
--- a/docs/source/algorithms/CalculateQMinMax-v1.rst
+++ b/docs/source/algorithms/CalculateDynamicRange-v1.rst
@@ -10,17 +10,18 @@
Description
-----------
-Calculates the minimum and maximum momentum transfer (Q) for the workspace.
+Calculates the minimum and maximum momentum transfer (Q) for a SANS workspace.
The input workspace must have instrument defined and data in units of wavelength [Angstroms].
+Elastic scattering is assumed.
Masked detectors and monitors do not enter the calculation.
The calculated values (in inverse Angstroms) will be set in sample logs as **qmin** and **qmax** respectively.
Usage
-----
-**Example - CalculateQMinMax**
+**Example - CalculateDynamicRange**
-.. testcode:: CalculateQMinMaxExample
+.. testcode:: CalculateDynamicRangeExample
ws = CreateSampleWorkspace(XUnit='Wavelength', NumBanks=1, PixelSpacing=0.1, XMin=1, XMax=5, BinWidth=0.4)
MoveInstrumentComponent(Workspace=ws, RelativePosition=True, ComponentName="bank1", Y=-0.5, X=-0.5)
@@ -33,13 +34,13 @@ Usage
</infinite-cylinder>
"""
MaskDetectorsInShape(ws, ShapeXML=shapeXML)
- CalculateQMinMax(Workspace=ws)
+ CalculateDynamicRange(Workspace=ws)
print("QMin = %.5f" % ws.getRun().getLogData("qmin").value)
print("QMax = %.5f" % ws.getRun().getLogData("qmax").value)
Output:
-.. testoutput:: CalculateQMinMaxExample
+.. testoutput:: CalculateDynamicRangeExample
QMin = 0.03553
QMax = 0.88200
diff --git a/docs/source/algorithms/ILLSANSReduction-v1.rst b/docs/source/algorithms/SANSILLReduction-v1.rst
similarity index 81%
rename from docs/source/algorithms/ILLSANSReduction-v1.rst
rename to docs/source/algorithms/SANSILLReduction-v1.rst
index f39369b4ac8d284aa44f83156ef833686c9afeb7..6b1268b6fd2a4a99a01b2bbeddada3fe887853c6 100644
--- a/docs/source/algorithms/ILLSANSReduction-v1.rst
+++ b/docs/source/algorithms/SANSILLReduction-v1.rst
@@ -55,70 +55,77 @@ Sample
Full Treatment
--------------
-This example performs the complete reduction for D11. :ref:`Q1DWeighted <algm-Q1DWeighted>` can be called over the final result to produce the I of Q.
+This example performs the complete reduction for D11. :ref:`Q1DWeighted <algm-Q1DWeighted>` can be called over the final result to produce the :math:'I(Q)'.
-**Example - full treatment of a sample**
+.. note::
+
+ For transmission calculation, the beam run and the transmission run have to be recorded at the same instrument configuration.
+ For beam flux normalisation and beam center movement, the beam run and the sample run have to be recorded at the same configuration.
+ For container subtraction, the container and the sample run have to be recorded at the same configuration.
+ Otherwise a warning is logged, but the execution does not stop.
.. include:: ../usagedata-note.txt
-.. testsetup:: ExILLSANSReduction
+**Example - full treatment of a sample**
+
+.. testsetup:: ExSANSILLReduction
config['default.facility'] = 'ILL'
config.appendDataSearchSubDir('ILL/D11/')
-.. testcode:: ExILLSANSReduction
+.. testcode:: ExSANSILLReduction
# Process the dark current Cd/B4C for water
- ILLSANSReduction(Run='010455.nxs', ProcessAs='Absorber', OutputWorkspace='Cdw')
+ SANSILLReduction(Run='010455.nxs', ProcessAs='Absorber', OutputWorkspace='Cdw')
# Process the empty beam for water
- ILLSANSReduction(Run='010414.nxs', ProcessAs='Beam', AbsorberInputWorkspace='Cdw', OutputWorkspace='Dbw')
+ SANSILLReduction(Run='010414.nxs', ProcessAs='Beam', AbsorberInputWorkspace='Cdw', OutputWorkspace='Dbw')
# Water container transmission
- ILLSANSReduction(Run='010446.nxs', ProcessAs='Transmission',
+ SANSILLReduction(Run='010446.nxs', ProcessAs='Transmission',
AbsorberInputWorkspace='Cdw', BeamInputWorkspace='Dbw',
OutputWorkspace='wc_tr')
print('Water container transmission is {0:.3f}'.format(mtd['wc_tr'].readY(0)[0]))
# Water container
- ILLSANSReduction(Run='010454.nxs', ProcessAs='Container',
+ SANSILLReduction(Run='010454.nxs', ProcessAs='Container',
AbsorberInputWorkspace='Cdw', BeamInputWorkspace='Dbw',
TransmissionInputWorkspace='wc_tr', OutputWorkspace='wc')
# Water transmission
- ILLSANSReduction(Run='010445.nxs', ProcessAs='Transmission',
+ SANSILLReduction(Run='010445.nxs', ProcessAs='Transmission',
AbsorberInputWorkspace='Cdw', BeamInputWorkspace='Dbw', OutputWorkspace='w_tr')
print('Water transmission is {0:.3f}'.format(mtd['w_tr'].readY(0)[0]))
# Water
- ILLSANSReduction(Run='010453.nxs', ProcessAs='Reference',
+ SANSILLReduction(Run='010453.nxs', ProcessAs='Reference',
AbsorberInputWorkspace='Cdw', ContainerInputWorkspace='wc',
BeamInputWorkspace='Dbw', TransmissionInputWorkspace='wc_tr',
SensitivityOutputWorkspace='sens', OutputWorkspace='water')
# Process the dark current Cd/B4C for sample
- ILLSANSReduction(Run='010462.nxs', ProcessAs='Absorber', OutputWorkspace='Cd')
+ SANSILLReduction(Run='010462.nxs', ProcessAs='Absorber', OutputWorkspace='Cd')
# Process the empty beam for sample
- ILLSANSReduction(Run='010413.nxs', ProcessAs='Beam', AbsorberInputWorkspace='Cd', OutputWorkspace='Db')
+ SANSILLReduction(Run='010413.nxs', ProcessAs='Beam', AbsorberInputWorkspace='Cd', OutputWorkspace='Db')
# Sample container transmission
- ILLSANSReduction(Run='010444.nxs', ProcessAs='Transmission',
+ SANSILLReduction(Run='010444.nxs', ProcessAs='Transmission',
AbsorberInputWorkspace='Cd', BeamInputWorkspace='Dbw', OutputWorkspace='sc_tr')
print('Sample container transmission is {0:.3f}'.format(mtd['sc_tr'].readY(0)[0]))
# Sample container
- ILLSANSReduction(Run='010460.nxs', ProcessAs='Container',
+ SANSILLReduction(Run='010460.nxs', ProcessAs='Container',
AbsorberInputWorkspace='Cd', BeamInputWorkspace='Db',
TransmissionInputWorkspace='sc_tr', OutputWorkspace='sc')
# Sample transmission
- ILLSANSReduction(Run='010585.nxs', ProcessAs='Transmission',
+ SANSILLReduction(Run='010585.nxs', ProcessAs='Transmission',
AbsorberInputWorkspace='Cd', BeamInputWorkspace='Dbw', OutputWorkspace='s_tr')
print('Sample transmission is {0:.3f}'.format(mtd['s_tr'].readY(0)[0]))
# Sample
- ILLSANSReduction(Run='010569.nxs', ProcessAs='Sample',
+ SANSILLReduction(Run='010569.nxs', ProcessAs='Sample',
AbsorberInputWorkspace='Cd', ContainerInputWorkspace='sc',
BeamInputWorkspace='Db', SensitivityInputWorkspace='sens',
TransmissionInputWorkspace='s_tr', OutputWorkspace='sample_flux')
@@ -128,14 +135,14 @@ This example performs the complete reduction for D11. :ref:`Q1DWeighted <algm-Q1
Output:
-.. testoutput:: ExILLSANSReduction
+.. testoutput:: ExSANSILLReduction
Water container transmission is 0.945
Water transmission is 0.500
Sample container transmission is 0.665
Sample transmission is 0.640
-.. testcleanup:: ExILLSANSReduction
+.. testcleanup:: ExSANSILLReduction
mtd.clear()
@@ -154,62 +161,62 @@ Plot the I(Q):
.. plot::
- from mantid.simpleapi import ILLSANSReduction, Q1DWeighted, mtd, config
+ from mantid.simpleapi import SANSILLReduction, Q1DWeighted, mtd, config
config['default.facility'] = 'ILL'
config.appendDataSearchSubDir('ILL/D11/')
# Process the dark current Cd/B4C for water
- ILLSANSReduction(Run='010455.nxs', ProcessAs='Absorber', OutputWorkspace='Cdw')
+ SANSILLReduction(Run='010455.nxs', ProcessAs='Absorber', OutputWorkspace='Cdw')
# Process the empty beam for water
- ILLSANSReduction(Run='010414.nxs', ProcessAs='Beam', AbsorberInputWorkspace='Cdw', OutputWorkspace='Dbw')
+ SANSILLReduction(Run='010414.nxs', ProcessAs='Beam', AbsorberInputWorkspace='Cdw', OutputWorkspace='Dbw')
# Water container transmission
- ILLSANSReduction(Run='010446.nxs', ProcessAs='Transmission',
+ SANSILLReduction(Run='010446.nxs', ProcessAs='Transmission',
AbsorberInputWorkspace='Cdw', BeamInputWorkspace='Dbw',
OutputWorkspace='wc_tr')
print('Water container transmission is {0:.3f}'.format(mtd['wc_tr'].readY(0)[0]))
# Water container
- ILLSANSReduction(Run='010454.nxs', ProcessAs='Container',
+ SANSILLReduction(Run='010454.nxs', ProcessAs='Container',
AbsorberInputWorkspace='Cdw', BeamInputWorkspace='Dbw',
TransmissionInputWorkspace='wc_tr', OutputWorkspace='wc')
# Water transmission
- ILLSANSReduction(Run='010445.nxs', ProcessAs='Transmission',
+ SANSILLReduction(Run='010445.nxs', ProcessAs='Transmission',
AbsorberInputWorkspace='Cdw', BeamInputWorkspace='Dbw', OutputWorkspace='w_tr')
print('Water transmission is {0:.3f}'.format(mtd['w_tr'].readY(0)[0]))
# Water
- ILLSANSReduction(Run='010453.nxs', ProcessAs='Reference',
+ SANSILLReduction(Run='010453.nxs', ProcessAs='Reference',
AbsorberInputWorkspace='Cdw', ContainerInputWorkspace='wc',
BeamInputWorkspace='Dbw', TransmissionInputWorkspace='wc_tr',
SensitivityOutputWorkspace='sens', OutputWorkspace='water')
# Process the dark current Cd/B4C for sample
- ILLSANSReduction(Run='010462.nxs', ProcessAs='Absorber', OutputWorkspace='Cd')
+ SANSILLReduction(Run='010462.nxs', ProcessAs='Absorber', OutputWorkspace='Cd')
# Process the empty beam for sample
- ILLSANSReduction(Run='010413.nxs', ProcessAs='Beam', AbsorberInputWorkspace='Cd', OutputWorkspace='Db')
+ SANSILLReduction(Run='010413.nxs', ProcessAs='Beam', AbsorberInputWorkspace='Cd', OutputWorkspace='Db')
# Sample container transmission
- ILLSANSReduction(Run='010444.nxs', ProcessAs='Transmission',
+ SANSILLReduction(Run='010444.nxs', ProcessAs='Transmission',
AbsorberInputWorkspace='Cd', BeamInputWorkspace='Dbw', OutputWorkspace='sc_tr')
print('Sample container transmission is {0:.3f}'.format(mtd['sc_tr'].readY(0)[0]))
# Sample container
- ILLSANSReduction(Run='010460.nxs', ProcessAs='Container',
+ SANSILLReduction(Run='010460.nxs', ProcessAs='Container',
AbsorberInputWorkspace='Cd', BeamInputWorkspace='Db',
TransmissionInputWorkspace='sc_tr', OutputWorkspace='sc')
# Sample transmission
- ILLSANSReduction(Run='010585.nxs', ProcessAs='Transmission',
+ SANSILLReduction(Run='010585.nxs', ProcessAs='Transmission',
AbsorberInputWorkspace='Cd', BeamInputWorkspace='Dbw', OutputWorkspace='s_tr')
print('Sample transmission is {0:.3f}'.format(mtd['s_tr'].readY(0)[0]))
# Sample
- ILLSANSReduction(Run='010569.nxs', ProcessAs='Sample',
+ SANSILLReduction(Run='010569.nxs', ProcessAs='Sample',
AbsorberInputWorkspace='Cd', ContainerInputWorkspace='sc',
BeamInputWorkspace='Db', SensitivityInputWorkspace='sens',
TransmissionInputWorkspace='s_tr', OutputWorkspace='sample_flux')
@@ -225,14 +232,7 @@ Plot the I(Q):
ax.errorbar(mtd['iq'],'-rs')
ax.set_ylabel('I [cm-1]')
ax.legend()
- fig.show()
-
-.. note::
-
- For transmission calculation, the beam run and the transmission run have to be recorded at the same instrument configuration.
- For beam flux normalisation and beam center movement, the beam run and the sample run have to be recorded at the same configuration.
- For container subtraction, the container and the sample run have to be recorded at the same configuration.
- Otherwise a warning is logged, but the execution does not stop.
+ #fig.show()
.. categories::
diff --git a/docs/source/release/v3.14.0/framework.rst b/docs/source/release/v3.14.0/framework.rst
index 580abedb95582f5cb724c95242a416f3417d1a28..8a97004cf73fb585812c21f33d4b784e7cd9b56f 100644
--- a/docs/source/release/v3.14.0/framework.rst
+++ b/docs/source/release/v3.14.0/framework.rst
@@ -39,6 +39,7 @@ Algorithms
New Algorithms
##############
+- :ref:`CalculateDynamicRange <algm-CalculateDynamicRange>` will calculate the Q range of a SANS workspace.
Improvements
@@ -49,7 +50,6 @@ Improvements
- :ref:`SumOverlappingTubes <algm-SumOverlappingTubes>` will produce histogram data, and will not split the counts between bins by default.
- :ref:`SumSpectra <algm-SumSpectra>` has an additional option, ``MultiplyBySpectra``, which controls whether or not the output spectra are multiplied by the number of bins. This property should be set to ``False`` for summing spectra as PDFgetN does.
- :ref:`Live Data <algm-StartLiveData>` for events in PreserveEvents mode now produces workspaces that have bin boundaries which encompass the total x-range (TOF) for all events across all spectra.
-- Bugfix in :ref:`ConvertToMatrixWorkspace <algm-ConvertToMatrixWorkspace>` with ``Workspace2D`` as the ``InputWorkspace`` not being cloned to the ``OutputWorkspace``. Added support for ragged workspaces.
- :ref:`RebinToWorkspace <algm-RebinToWorkspace>` now checks if the ``WorkspaceToRebin`` and ``WorkspaceToMatch`` already have the same binning. Added support for ragged workspaces.
- :ref:`GroupWorkspaces <algm-GroupWorkspaces>` supports glob patterns for matching workspaces in the ADS.
- :ref:`MaskDetectorsIf <algm-MaskDetectorsIf>` now supports masking a workspace in addition to writing the masking information to a calfile.
@@ -59,7 +59,7 @@ Bugfixes
- :ref:`SaveGDA <algm-SaveGDA>` Now takes a parameter of OutputFilename instead of Filename to better match with similar algorithms.
-
+- Bugfix in :ref:`ConvertToMatrixWorkspace <algm-ConvertToMatrixWorkspace>` with ``Workspace2D`` as the ``InputWorkspace`` not being cloned to the ``OutputWorkspace``. Added support for ragged workspaces.
- :ref:`FilterEvents <algm-FilterEvents-v1>` output workspaces now contain the goniometer.
- Fixed an issue where if a workspace's history wouldn't update for some algorithms
- Fixed a ``std::bad_cast`` error in :ref:`algm-LoadLiveData` when the data size changes.
diff --git a/docs/source/release/v3.14.0/sans.rst b/docs/source/release/v3.14.0/sans.rst
index 84bd51482f79a72e2bff93851864873852951891..85e22b3910abfc38f54b4054bd1d4b071afed84a 100644
--- a/docs/source/release/v3.14.0/sans.rst
+++ b/docs/source/release/v3.14.0/sans.rst
@@ -5,11 +5,14 @@ SANS Changes
.. contents:: Table of Contents
:local:
-ISIS SANS Interface
--------------------
New
###
+- :ref:`SANSILLReduction <algm-SANSILLReduction>` performs common SANS reduction for ILL instruments.
+
+ISIS SANS Interface
+-------------------
+
Improved
########
* Updated workspace naming scheme for new backend.