diff --git a/Framework/Algorithms/inc/MantidAlgorithms/SANSCollimationLengthEstimator.h b/Framework/Algorithms/inc/MantidAlgorithms/SANSCollimationLengthEstimator.h
index d662b7a2d25d6a05531eb96a76db2b34c28654e9..18d9fb5b5cfad47c692e9a9a3c6badc8dcb30601 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/SANSCollimationLengthEstimator.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/SANSCollimationLengthEstimator.h
@@ -2,6 +2,7 @@
#define MANTID_ALGORITHMS_SANSCOLLISIONLENGTHESTIMATOR_H
#include "MantidKernel/System.h"
+#include "MantidKernel/Property.h"
#include "MantidAPI/MatrixWorkspace_fwd.h"
/**Helper class which provides the Collimation Length for SANS instruments
@@ -39,6 +40,7 @@ private:
double getCollimationLengthWithGuides(
Mantid::API::MatrixWorkspace_sptr inOutWS, const double L1,
const double collimationLengthCorrection) const;
+ double getGuideValue(Mantid::Kernel::Property *prop) const;
};
}
}
diff --git a/Framework/Algorithms/src/Q1D2.cpp b/Framework/Algorithms/src/Q1D2.cpp
index 495d921058017d3549c8ac020d8ff4d9e06df281..f7ee159e7f5e3dfd8fa21e54596033db5c4ee508 100644
--- a/Framework/Algorithms/src/Q1D2.cpp
+++ b/Framework/Algorithms/src/Q1D2.cpp
@@ -119,6 +119,9 @@ void Q1D2::exec() {
// define the (large number of) data objects that are going to be used in all
// iterations of the loop below
+ // Flag to decide if Q Resolution is to be used
+ auto useQResolution = qResolution ? true : false;
+
// this will become the output workspace from this algorithm
MatrixWorkspace_sptr outputWS =
setUpOutputWorkspace(getProperty("OutputBinning"));
@@ -130,15 +133,19 @@ void Q1D2::exec() {
MantidVec normSum(YOut.size(), 0.0);
// the error on the normalisation
MantidVec normError2(YOut.size(), 0.0);
- // the averaged Q resolution
- MantidVec &qResolutionOut = outputWS->dataDx(0);
+
+ // the averaged Q resolution. We need the a named dummy variable although it
+ // won't be
+ // used since we only want to create a reference to DX if it is really
+ // required. Referencing
+ // DX sets a flag which might not be desirable.
+ MantidVec dummy;
+ MantidVec &qResolutionOut =
+ useQResolution ? outputWS->dataDx(0) : outputWS->dataY(0);
const int numSpec = static_cast<int>(m_dataWS->getNumberHistograms());
Progress progress(this, 0.05, 1.0, numSpec + 1);
- // Flag to decide if Q Resolution is to be used
- auto useQResolution = qResolution ? true : false;
-
PARALLEL_FOR3(m_dataWS, outputWS, pixelAdj)
for (int i = 0; i < numSpec; ++i) {
PARALLEL_START_INTERUPT_REGION
@@ -278,7 +285,9 @@ void Q1D2::exec() {
WorkspaceFactory::Instance().create(outputWS);
ws_sumOfCounts->dataX(0) = outputWS->dataX(0);
ws_sumOfCounts->dataY(0) = outputWS->dataY(0);
- ws_sumOfCounts->dataDx(0) = outputWS->dataDx(0);
+ if (useQResolution) {
+ ws_sumOfCounts->dataDx(0) = outputWS->dataDx(0);
+ }
for (size_t i = 0; i < outputWS->dataE(0).size(); i++) {
ws_sumOfCounts->dataE(0)[i] = sqrt(outputWS->dataE(0)[i]);
}
@@ -286,7 +295,9 @@ void Q1D2::exec() {
MatrixWorkspace_sptr ws_sumOfNormFactors =
WorkspaceFactory::Instance().create(outputWS);
ws_sumOfNormFactors->dataX(0) = outputWS->dataX(0);
- ws_sumOfNormFactors->dataDx(0) = outputWS->dataDx(0);
+ if (useQResolution) {
+ ws_sumOfNormFactors->dataDx(0) = outputWS->dataDx(0);
+ }
for (size_t i = 0; i < ws_sumOfNormFactors->dataY(0).size(); i++) {
ws_sumOfNormFactors->dataY(0)[i] = normSum[i];
ws_sumOfNormFactors->dataE(0)[i] = sqrt(normError2[i]);
diff --git a/Framework/Algorithms/src/SANSCollimationLengthEstimator.cpp b/Framework/Algorithms/src/SANSCollimationLengthEstimator.cpp
index 624e311c48b091897f00330e3da26a6f1daa01a5..aaaabfe5a3f2ce9b2c5c61e3e1afb47d53bb2881 100644
--- a/Framework/Algorithms/src/SANSCollimationLengthEstimator.cpp
+++ b/Framework/Algorithms/src/SANSCollimationLengthEstimator.cpp
@@ -2,10 +2,27 @@
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidKernel/Logger.h"
#include "MantidKernel/TimeSeriesProperty.h"
+#include "MantidKernel/Property.h"
#include "MantidKernel/V3D.h"
+#include "boost/lexical_cast.hpp"
namespace {
Mantid::Kernel::Logger g_log("SANSCollimationLengthEstimator");
+
+/**
+ * Provide an string and check if it can be converted to a double
+ * @param val: a value as a string
+ * @returns true if it is convertible else false
+ */
+bool checkForDouble(std::string val) {
+ auto isDouble = false;
+ try {
+ boost::lexical_cast<double>(val);
+ isDouble = true;
+ } catch (boost::bad_lexical_cast const &) {
+ }
+ return isDouble;
+}
}
namespace Mantid {
@@ -29,6 +46,7 @@ double SANSCollimationLengthEstimator::provideCollimationLength(
// to 4
const double defaultLColim = 4.0;
auto collimationLengthID = "collimation-length-correction";
+
if (!workspace->getInstrument()->hasParameter(collimationLengthID)) {
g_log.error("Error in SANSCollimtionLengthEstimator: The instrument "
"parameter file does not contain a collimation length "
@@ -53,15 +71,21 @@ double SANSCollimationLengthEstimator::provideCollimationLength(
workspace->getInstrument()->getStringParameter(
"special-default-collimation-length-method");
if (specialCollimationMethod[0] == "guide") {
- return getCollimationLengthWithGuides(workspace, L1,
- collimationLengthCorrection[0]);
+ try {
+ return getCollimationLengthWithGuides(workspace, L1,
+ collimationLengthCorrection[0]);
+ } catch (std::invalid_argument &ex) {
+ g_log.notice() << ex.what();
+ g_log.notice()
+ << "SANSCollimationLengthEstimator: Not using any guides";
+ return L1 - collimationLengthCorrection[0];
+ }
} else {
throw std::invalid_argument("Error in SANSCollimationLengthEstimator: "
"Unknown special collimation method.");
}
- } else {
- return L1 - collimationLengthCorrection[0];
}
+ return L1 - collimationLengthCorrection[0];
}
/**
@@ -96,7 +120,7 @@ double SANSCollimationLengthEstimator::getCollimationLengthWithGuides(
if (!inOutWS->getInstrument()->hasParameter(
"guide-collimation-length-increment")) {
throw std::invalid_argument(
- "TOFSANSResolutionByPixel: Could not find a guid increment.");
+ "TOFSANSResolutionByPixel: Could not find a guide increment.");
}
auto numberOfGuides = static_cast<unsigned int>(
@@ -106,14 +130,14 @@ double SANSCollimationLengthEstimator::getCollimationLengthWithGuides(
// Make sure that all guides are there. They are labelled as Guide1, Guide2,
// Guide3, ...
- // The entry is a numeric TimeSeriesProperty
+ // The entry is a numeric TimeSeriesProperty or a numeric entry, if something
+ // else then default
std::vector<double> guideValues;
for (unsigned int i = 1; i <= numberOfGuides; i++) {
auto guideName = "Guide" + boost::lexical_cast<std::string>(i);
if (inOutWS->run().hasProperty(guideName)) {
- auto guideProperty =
- inOutWS->run().getTimeSeriesProperty<double>(guideName);
- guideValues.push_back(guideProperty->firstValue());
+ auto guideValue = getGuideValue(inOutWS->run().getProperty(guideName));
+ guideValues.push_back(guideValue);
} else {
throw std::invalid_argument("TOFSANSResolutionByPixel: Mismatch between "
"specified number of Guides and actual "
@@ -147,5 +171,30 @@ double SANSCollimationLengthEstimator::getCollimationLengthWithGuides(
}
return lCollim;
}
+
+/**
+ * Extracts the value of the guide
+ * @param prop: a property
+ * @returns the guide value
+ */
+double SANSCollimationLengthEstimator::getGuideValue(
+ Mantid::Kernel::Property *prop) const {
+ if (auto timeSeriesProperty =
+ dynamic_cast<TimeSeriesProperty<double> *>(prop)) {
+ return timeSeriesProperty->firstValue();
+ } else if (auto doubleProperty =
+ dynamic_cast<PropertyWithValue<double> *>(prop)) {
+ auto val = doubleProperty->value();
+ if (checkForDouble(val)) {
+ g_log.warning("SANSCollimationLengthEstimator: The Guide was not "
+ "recoginized as a TimeSeriesProperty, but rather as a "
+ "Numeric.");
+ return boost::lexical_cast<double, std::string>(val);
+ }
+ }
+ throw std::invalid_argument("TOFSANSResolutionByPixel: Unknown type for "
+ "Guides. Currently only Numeric and TimeSeries "
+ "are supported.");
+}
}
}
\ No newline at end of file
diff --git a/Framework/Algorithms/test/Q1D2Test.h b/Framework/Algorithms/test/Q1D2Test.h
index cd3817f71357612cc8c61f887d781cfb5674b2c5..c964161268241380674c4f38dea60e3f01c6b5e5 100644
--- a/Framework/Algorithms/test/Q1D2Test.h
+++ b/Framework/Algorithms/test/Q1D2Test.h
@@ -201,6 +201,8 @@ public:
TS_ASSERT_DELTA(result->readE(0)[2], 404981, 10)
TS_ASSERT_DELTA(result->readE(0)[10], 489710.39, 100)
TS_ASSERT(boost::math::isnan(result->readE(0)[7]))
+
+ TSM_ASSERT("Should not have a DX value", !result->hasDx(0))
}
void testInvalidPixelAdj() {
@@ -397,6 +399,7 @@ public:
value2);
// Act
+ TSM_ASSERT("Resolution workspace should not be NULL", qResolution)
Mantid::Algorithms::Q1D2 Q1D;
TS_ASSERT_THROWS_NOTHING(Q1D.initialize());
TS_ASSERT(Q1D.isInitialized())
@@ -426,6 +429,7 @@ public:
Mantid::API::AnalysisDataService::Instance().retrieve(
outputWS + "_sumOfCounts")))
+ TSM_ASSERT("Should have the x error flag set", result->hasDx(0));
// That output will be SUM_i(Yin_i*QRES_in_i)/(SUM_i(Y_in_i)) for each q
// value
// In our test workspace we set QRes_in_1 to 1, this means that all DX
diff --git a/Framework/Algorithms/test/SANSCollimationLengthEstimatorTest.h b/Framework/Algorithms/test/SANSCollimationLengthEstimatorTest.h
index 1c778585cff318f7ff07ef813cb88e22f913bc13..495c78b0519f52d29a8c52136531c9d08c57a548 100644
--- a/Framework/Algorithms/test/SANSCollimationLengthEstimatorTest.h
+++ b/Framework/Algorithms/test/SANSCollimationLengthEstimatorTest.h
@@ -236,7 +236,7 @@ public:
std::invalid_argument);
}
- void test_that_missing_guide_cutoff_throws_an_error() {
+ void test_that_missing_guide_cutoff_produces_a_default_value() {
// Arrange
double collimationLengthCorrection = 20;
double collimationLengthIncrement = 12;
@@ -252,13 +252,14 @@ public:
samplePosition);
auto collimationLengthEstimator = SANSCollimationLengthEstimator();
// Act + Assert
- TSM_ASSERT_THROWS(
- "Should throw an exception since we are missing the guide cutoffs.",
+ TSM_ASSERT_EQUALS(
+ "Should produce a fallback value of 25-20=5 since the guide cutoffs "
+ "are missing",
collimationLengthEstimator.provideCollimationLength(testWorkspace),
- std::invalid_argument);
+ 5.0);
}
- void test_that_missing_number_of_guides_throws_an_error() {
+ void test_that_missing_number_of_guides_produces_a_default_value() {
// Arrange
double collimationLengthCorrection = 20;
double collimationLengthIncrement = 12;
@@ -274,14 +275,15 @@ public:
samplePosition);
auto collimationLengthEstimator = SANSCollimationLengthEstimator();
// Act + Assert
- TSM_ASSERT_THROWS(
- "Should throw an exception since we are missing the number of guides "
- "spec.",
+ TSM_ASSERT_EQUALS(
+ "Should produce a fallback value of 25-20=5 since the number of guides "
+ "spec is missing",
collimationLengthEstimator.provideCollimationLength(testWorkspace),
- std::invalid_argument);
+ 5.0);
}
- void test_that_missing_collimation_length_increment_throws_an_error() {
+ void
+ test_that_missing_collimation_length_increment_produces_a_default_value() {
// Arrange
double collimationLengthCorrection = 20;
double collimationLengthIncrement = -1;
@@ -297,11 +299,11 @@ public:
samplePosition);
auto collimationLengthEstimator = SANSCollimationLengthEstimator();
// Act + Assert
- TSM_ASSERT_THROWS(
- "Should throw an exception since we are missing the collimation length "
- "increment.",
+ TSM_ASSERT_EQUALS(
+ "Should produce a fallback value of 25-20=5 since the collimation "
+ "length increment is missing.",
collimationLengthEstimator.provideCollimationLength(testWorkspace),
- std::invalid_argument);
+ 5.0);
}
void
@@ -321,11 +323,11 @@ public:
samplePosition);
auto collimationLengthEstimator = SANSCollimationLengthEstimator();
// Act + Assert
- TSM_ASSERT_THROWS(
- "Should throw an exception since there is mismatch between the "
- "specified number of guides and the guides in the logs",
+ TSM_ASSERT_EQUALS(
+ "Should produce a fallback value of 25-20=5 since there is a mismatch "
+ "between the number of guides in the log and in the spec",
collimationLengthEstimator.provideCollimationLength(testWorkspace),
- std::invalid_argument);
+ 5.0);
}
void test_that_5_log_guides_are_all_picked_up_and_contribute() {
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/SANSConstants.h b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/SANSConstants.h
index fec5247513bd2620f1dff9fd8ae13370afaaf479..fb4d8c849507594507225e8d696385b96365b02c 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/SANSConstants.h
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/SANSConstants.h
@@ -18,11 +18,18 @@ public:
QString getPythonSuccessKeyword();
QString getPythonEmptyKeyword();
QString getPythonTrueKeyword();
+ QString getPythonFalseKeyword();
+ QString getQResolutionH1ToolTipText();
+ QString getQResolutionH2ToolTipText();
+ QString getQResolutionA1ToolTipText();
+ QString getQResolutionA2ToolTipText();
+
// Input related
double getMaxDoubleValue();
int getMaxIntValue();
int getDecimals();
+
};
}
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/SANSRunWindow.h b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/SANSRunWindow.h
index 0dc60514e8c56492f6a263d1a0f58d40ac7aeb7c..91245c83f0e6b1b595c428da017db8928915d5f2 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/SANSRunWindow.h
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/SANSRunWindow.h
@@ -75,9 +75,9 @@ public:
NoSample, ///< No sample workspace has yet been loaded
Loading, ///< Workspaces are loading
Ready, ///< A sample workspace is loaded and the reduce buttons should be
- ///active
- OneD, ///< Signifies a 1D reduction
- TwoD ///< For 2D reductions
+ /// active
+ OneD, ///< Signifies a 1D reduction
+ TwoD ///< For 2D reductions
};
/// Default Constructor
SANSRunWindow(QWidget *parent = 0);
@@ -109,6 +109,9 @@ private:
ONE_D_ANALYSIS
};
+ /// Enum for the two states of the Q Resolution aperture selection
+ enum QResoluationAperture { CIRCULAR, RECTANGULAR };
+
/// Initialize the layout
virtual void initLayout();
/// Init Python environment
@@ -310,6 +313,8 @@ private slots:
void onLeftRightCheckboxChanged();
/// React to change in Up/Down checkbox
void onUpDownCheckboxChanged();
+ /// Handle a change of the aperture geometry for QResolution
+ void handleQResolutionApertureChange(int aperture);
private:
/// used to specify the range of validation to do
@@ -459,6 +464,35 @@ private:
void applyLOQSettings(bool isNowLOQ);
/// Set the beam finder details
void setBeamFinderDetails();
+ /// Gets the QResolution settings and shows them in the GUI
+ void retrieveQResolutionSettings();
+ /// Gets the QResolution settings for the aperture, decides for the the
+ /// correct setting and displays it
+ void retrieveQResolutionAperture();
+ /// General getter for aperture settings of Q Resolution
+ QString retrieveQResolutionGeometry(QString command);
+ /// Write the QResolution GUI changes to a python script
+ void writeQResolutionSettingsToPythonScript(QString &pythonCode);
+ /// Write single line for Q Resolution
+ void writeQResolutionSettingsToPythonScriptSingleEntry(
+ QString value, QString code_entry, const QString lineEnding,
+ QString &py_code) const;
+ /// Sets the cirucular aperture, ie labels and populates the values with what
+ /// is available from the user file
+ void setupQResolutionCircularAperture();
+ /// Sets the rectuanular aperture
+ void setupQResolutionRectangularAperture(QString h1, QString w1, QString h2,
+ QString w2);
+ /// Set the rectangular aperture
+ void setupQResolutionRectangularAperture();
+ /// Set the aperture type
+ void setQResolutionApertureType(QResoluationAperture apertureType,
+ QString a1H1Label, QString a2H2Label,
+ QString a1H1, QString a2H2,
+ QString toolTipA1H1, QString toolTipA2H2,
+ bool w1W2Disabled);
+ /// Initialize the QResolution settings
+ void initQResolutionSettings();
UserSubWindow *slicingWindow;
};
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/SANSRunWindow.ui b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/SANSRunWindow.ui
index 984a9246bc607f29b47f881614a2fd3cec300f03..f257113b7f3f4e3be75364623c5321259958a719 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/SANSRunWindow.ui
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/SANSRunWindow.ui
@@ -7,7 +7,7 @@
<x>0</x>
<y>0</y>
<width>950</width>
- <height>545</height>
+ <height>605</height>
</rect>
</property>
<property name="sizePolicy">
@@ -868,74 +868,120 @@ Zero Error</string>
<string>Reduction Settings</string>
</attribute>
<layout class="QGridLayout" name="gridLayout_13">
- <item row="0" column="0">
- <layout class="QHBoxLayout" name="horizontalLayout">
- <item>
- <widget class="QLabel" name="label_23">
- <property name="text">
- <string>Account for gravity</string>
- </property>
- <property name="alignment">
- <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QCheckBox" name="gravity_check">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_23">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>20</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="label_15">
- <property name="text">
- <string>Extra Length (m)</string>
- </property>
- </widget>
- </item>
+ <item row="1" column="1">
+ <layout class="QVBoxLayout" name="verticalLayout_8">
<item>
- <widget class="QLineEdit" name="gravity_extra_length_line_edit">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Maximum">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="maximumSize">
- <size>
- <width>70</width>
- <height>16777215</height>
- </size>
+ <widget class="QGroupBox" name="groupBox_18">
+ <property name="title">
+ <string>Transmission Settings</string>
</property>
+ <layout class="QVBoxLayout" name="verticalLayout_15">
+ <item>
+ <layout class="QGridLayout" name="gridLayout_32">
+ <item row="1" column="4">
+ <widget class="QLineEdit" name="trans_roi_files_line_edit">
+ <property name="minimumSize">
+ <size>
+ <width>200</width>
+ <height>0</height>
+ </size>
+ </property>
+ </widget>
+ </item>
+ <item row="1" column="2">
+ <widget class="QLineEdit" name="trans_radius_line_edit"/>
+ </item>
+ <item row="0" column="0">
+ <layout class="QHBoxLayout" name="horizontalLayout_25">
+ <item>
+ <widget class="QCheckBox" name="trans_M3_check_box">
+ <property name="text">
+ <string>M3</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="trans_M4_check_box">
+ <property name="text">
+ <string>M4</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item row="0" column="2">
+ <widget class="QCheckBox" name="trans_radius_check_box">
+ <property name="text">
+ <string>Radius</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="4">
+ <widget class="QCheckBox" name="trans_roi_files_checkbox">
+ <property name="text">
+ <string>ROI files</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="1" rowspan="2">
+ <widget class="QFrame" name="frame">
+ <property name="frameShape">
+ <enum>QFrame::VLine</enum>
+ </property>
+ <property name="frameShadow">
+ <enum>QFrame::Raised</enum>
+ </property>
+ <property name="lineWidth">
+ <number>1</number>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="3" rowspan="2">
+ <widget class="QFrame" name="frame_2">
+ <property name="frameShape">
+ <enum>QFrame::VLine</enum>
+ </property>
+ <property name="frameShadow">
+ <enum>QFrame::Raised</enum>
+ </property>
+ <property name="lineWidth">
+ <number>1</number>
+ </property>
+ </widget>
+ </item>
+ <item row="1" column="0">
+ <layout class="QHBoxLayout" name="horizontalLayout_28">
+ <item>
+ <widget class="QLabel" name="label_17">
+ <property name="text">
+ <string>Shift:</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="trans_M3M4_line_edit"/>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_26">
+ <item>
+ <widget class="QLabel" name="label_16">
+ <property name="text">
+ <string>Masking files:</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="trans_masking_line_edit"/>
+ </item>
+ </layout>
+ </item>
+ </layout>
</widget>
</item>
- <item>
- <spacer name="horizontalSpacer">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>20</height>
- </size>
- </property>
- </spacer>
- </item>
</layout>
</item>
<item row="1" column="0" rowspan="2">
@@ -1620,121 +1666,218 @@ intermediate ranges are there for comparison</string>
</item>
</layout>
</item>
- <item row="1" column="1">
- <layout class="QVBoxLayout" name="verticalLayout_8">
+ <item row="0" column="0">
+ <layout class="QHBoxLayout" name="horizontalLayout">
<item>
- <widget class="QGroupBox" name="groupBox_18">
- <property name="title">
- <string>Transmission Settings</string>
+ <widget class="QLabel" name="label_23">
+ <property name="text">
+ <string>Account for gravity</string>
</property>
- <layout class="QVBoxLayout" name="verticalLayout_15">
- <item>
- <layout class="QGridLayout" name="gridLayout_32">
- <item row="1" column="4">
- <widget class="QLineEdit" name="trans_roi_files_line_edit">
- <property name="minimumSize">
- <size>
- <width>200</width>
- <height>0</height>
- </size>
- </property>
- </widget>
- </item>
- <item row="1" column="2">
- <widget class="QLineEdit" name="trans_radius_line_edit"/>
- </item>
- <item row="0" column="0">
- <layout class="QHBoxLayout" name="horizontalLayout_25">
- <item>
- <widget class="QCheckBox" name="trans_M3_check_box">
- <property name="text">
- <string>M3</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QCheckBox" name="trans_M4_check_box">
- <property name="text">
- <string>M4</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item row="0" column="2">
- <widget class="QCheckBox" name="trans_radius_check_box">
- <property name="text">
- <string>Radius</string>
- </property>
- </widget>
- </item>
- <item row="0" column="4">
- <widget class="QCheckBox" name="trans_roi_files_checkbox">
- <property name="text">
- <string>ROI files</string>
- </property>
- </widget>
- </item>
- <item row="0" column="1" rowspan="2">
- <widget class="QFrame" name="frame">
- <property name="frameShape">
- <enum>QFrame::VLine</enum>
- </property>
- <property name="frameShadow">
- <enum>QFrame::Raised</enum>
- </property>
- <property name="lineWidth">
- <number>1</number>
- </property>
- </widget>
- </item>
- <item row="0" column="3" rowspan="2">
- <widget class="QFrame" name="frame_2">
- <property name="frameShape">
- <enum>QFrame::VLine</enum>
- </property>
- <property name="frameShadow">
- <enum>QFrame::Raised</enum>
- </property>
- <property name="lineWidth">
- <number>1</number>
- </property>
- </widget>
- </item>
- <item row="1" column="0">
- <layout class="QHBoxLayout" name="horizontalLayout_28">
- <item>
- <widget class="QLabel" name="label_17">
- <property name="text">
- <string>Shift:</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="trans_M3M4_line_edit"/>
- </item>
- </layout>
- </item>
- </layout>
+ <property name="alignment">
+ <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="gravity_check">
+ <property name="text">
+ <string/>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_23">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="label_15">
+ <property name="text">
+ <string>Extra Length (m)</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="gravity_extra_length_line_edit">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Maximum">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="maximumSize">
+ <size>
+ <width>70</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ </layout>
+ </item>
+ <item row="3" column="0">
+ <widget class="QGroupBox" name="groupBox_6">
+ <property name="title">
+ <string>Efficiency correction</string>
+ </property>
+ <layout class="QGridLayout" name="gridLayout_2">
+ <item row="0" column="1">
+ <widget class="QLabel" name="label_27">
+ <property name="text">
+ <string>Rear</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="2">
+ <widget class="QLineEdit" name="direct_file">
+ <property name="enabled">
+ <bool>false</bool>
+ </property>
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Maximum">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>275</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="alignment">
+ <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
+ </property>
+ </widget>
+ </item>
+ <item row="1" column="1">
+ <widget class="QLabel" name="label_28">
+ <property name="text">
+ <string>Front</string>
+ </property>
+ </widget>
+ </item>
+ <item row="1" column="2">
+ <widget class="QLineEdit" name="front_direct_file">
+ <property name="enabled">
+ <bool>false</bool>
+ </property>
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Maximum">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="alignment">
+ <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ </item>
+ <item row="4" column="0" rowspan="2">
+ <widget class="QGroupBox" name="groupBox_17">
+ <property name="title">
+ <string>Apply flood correction file</string>
+ </property>
+ <layout class="QVBoxLayout" name="verticalLayout_13">
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_21">
+ <item>
+ <widget class="QCheckBox" name="enableRearFlood_ck">
+ <property name="text">
+ <string/>
+ </property>
+ </widget>
</item>
<item>
- <layout class="QHBoxLayout" name="horizontalLayout_26">
- <item>
- <widget class="QLabel" name="label_16">
- <property name="text">
- <string>Masking files:</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="trans_masking_line_edit"/>
- </item>
- </layout>
+ <widget class="MantidQt::MantidWidgets::MWRunFiles" name="floodRearFile" native="true">
+ <property name="findRunFiles" stdset="0">
+ <bool>false</bool>
+ </property>
+ <property name="label" stdset="0">
+ <string>Rear Flood File</string>
+ </property>
+ <property name="multipleFiles" stdset="0">
+ <bool>false</bool>
+ </property>
+ <property name="optional" stdset="0">
+ <bool>false</bool>
+ </property>
+ <property name="multiEntry" stdset="0">
+ <bool>false</bool>
+ </property>
+ </widget>
</item>
</layout>
- </widget>
- </item>
- </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_22">
+ <item>
+ <widget class="QCheckBox" name="enableFrontFlood_ck">
+ <property name="text">
+ <string/>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="MantidQt::MantidWidgets::MWRunFiles" name="floodFrontFile" native="true">
+ <property name="findRunFiles" stdset="0">
+ <bool>false</bool>
+ </property>
+ <property name="label" stdset="0">
+ <string>Front Flood File</string>
+ </property>
+ <property name="multipleFiles" stdset="0">
+ <bool>false</bool>
+ </property>
+ <property name="optional" stdset="0">
+ <bool>false</bool>
+ </property>
+ <property name="multiEntry" stdset="0">
+ <bool>false</bool>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </widget>
+ </item>
+ <item row="7" column="1">
+ <spacer name="verticalSpacer_8">
+ <property name="orientation">
+ <enum>Qt::Vertical</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>20</width>
+ <height>40</height>
+ </size>
+ </property>
+ </spacer>
</item>
<item row="2" column="1" rowspan="3">
<layout class="QVBoxLayout" name="verticalLayout_11">
@@ -1981,136 +2124,6 @@ intermediate ranges are there for comparison</string>
</item>
</layout>
</item>
- <item row="3" column="0">
- <widget class="QGroupBox" name="groupBox_6">
- <property name="title">
- <string>Efficiency correction</string>
- </property>
- <layout class="QGridLayout" name="gridLayout_2">
- <item row="0" column="1">
- <widget class="QLabel" name="label_27">
- <property name="text">
- <string>Rear</string>
- </property>
- </widget>
- </item>
- <item row="0" column="2">
- <widget class="QLineEdit" name="direct_file">
- <property name="enabled">
- <bool>false</bool>
- </property>
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Maximum">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>275</width>
- <height>0</height>
- </size>
- </property>
- <property name="alignment">
- <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
- </property>
- </widget>
- </item>
- <item row="1" column="1">
- <widget class="QLabel" name="label_28">
- <property name="text">
- <string>Front</string>
- </property>
- </widget>
- </item>
- <item row="1" column="2">
- <widget class="QLineEdit" name="front_direct_file">
- <property name="enabled">
- <bool>false</bool>
- </property>
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Maximum">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="alignment">
- <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
- </property>
- </widget>
- </item>
- </layout>
- </widget>
- </item>
- <item row="4" column="0" rowspan="2">
- <widget class="QGroupBox" name="groupBox_17">
- <property name="title">
- <string>Apply flood correction file</string>
- </property>
- <layout class="QVBoxLayout" name="verticalLayout_13">
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_21">
- <item>
- <widget class="QCheckBox" name="enableRearFlood_ck">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item>
- <widget class="MantidQt::MantidWidgets::MWRunFiles" name="floodRearFile" native="true">
- <property name="findRunFiles" stdset="0">
- <bool>false</bool>
- </property>
- <property name="label" stdset="0">
- <string>Rear Flood File</string>
- </property>
- <property name="multipleFiles" stdset="0">
- <bool>false</bool>
- </property>
- <property name="optional" stdset="0">
- <bool>false</bool>
- </property>
- <property name="multiEntry" stdset="0">
- <bool>false</bool>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_22">
- <item>
- <widget class="QCheckBox" name="enableFrontFlood_ck">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item>
- <widget class="MantidQt::MantidWidgets::MWRunFiles" name="floodFrontFile" native="true">
- <property name="findRunFiles" stdset="0">
- <bool>false</bool>
- </property>
- <property name="label" stdset="0">
- <string>Front Flood File</string>
- </property>
- <property name="multipleFiles" stdset="0">
- <bool>false</bool>
- </property>
- <property name="optional" stdset="0">
- <bool>false</bool>
- </property>
- <property name="multiEntry" stdset="0">
- <bool>false</bool>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- </layout>
- </widget>
- </item>
<item row="5" column="1">
<layout class="QHBoxLayout" name="horizontalLayout_6">
<item>
@@ -2318,6 +2331,200 @@ intermediate ranges are there for comparison</string>
</item>
</layout>
</item>
+ <item row="7" column="0">
+ <layout class="QHBoxLayout" name="horizontalLayout_27">
+ <item>
+ <widget class="QGroupBox" name="q_resolution_group_box">
+ <property name="title">
+ <string>QResolution</string>
+ </property>
+ <property name="checkable">
+ <bool>true</bool>
+ </property>
+ <property name="checked">
+ <bool>false</bool>
+ </property>
+ <layout class="QGridLayout" name="gridLayout_33">
+ <item row="2" column="9">
+ <widget class="QLabel" name="q_resolution_delta_r_label">
+ <property name="text">
+ <string>Delta R [mm]:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="2">
+ <widget class="QLineEdit" name="q_resolution_a1_h1_input">
+ <property name="maximumSize">
+ <size>
+ <width>35</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ </widget>
+ </item>
+ <item row="2" column="7">
+ <widget class="QLabel" name="q_resolution_collimation_length_label">
+ <property name="text">
+ <string>LCollim [m]:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="2" column="2">
+ <widget class="QLineEdit" name="q_resolution_a2_h2_input">
+ <property name="maximumSize">
+ <size>
+ <width>35</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="8" colspan="3">
+ <widget class="QLineEdit" name="q_resolution_moderator_input">
+ <property name="enabled">
+ <bool>false</bool>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>0</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="maximumSize">
+ <size>
+ <width>16777215</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="readOnly">
+ <bool>false</bool>
+ </property>
+ </widget>
+ </item>
+ <item row="2" column="10">
+ <widget class="QLineEdit" name="q_resolution_delta_r_input">
+ <property name="maximumSize">
+ <size>
+ <width>35</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ </widget>
+ </item>
+ <item row="2" column="8">
+ <widget class="QLineEdit" name="q_resolution_collimation_length_input">
+ <property name="maximumSize">
+ <size>
+ <width>35</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="4">
+ <widget class="QLabel" name="q_resolution_w1_label">
+ <property name="maximumSize">
+ <size>
+ <width>40</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>W1[mm]</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="1">
+ <widget class="QLabel" name="q_resolution_a1_h1_label">
+ <property name="maximumSize">
+ <size>
+ <width>40</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>A1[mm]:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="0">
+ <widget class="QComboBox" name="q_resolution_combo_box">
+ <property name="maximumSize">
+ <size>
+ <width>50</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <item>
+ <property name="text">
+ <string>Circ.</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Rect.</string>
+ </property>
+ </item>
+ </widget>
+ </item>
+ <item row="2" column="1">
+ <widget class="QLabel" name="q_resolution_a2_h2_label">
+ <property name="maximumSize">
+ <size>
+ <width>40</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>A2[mm]:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="2" column="5">
+ <widget class="QLineEdit" name="q_resolution_w2_input">
+ <property name="maximumSize">
+ <size>
+ <width>35</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ </widget>
+ </item>
+ <item row="2" column="4">
+ <widget class="QLabel" name="q_resolution_w2_label">
+ <property name="maximumSize">
+ <size>
+ <width>40</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>W2[mm]</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="7">
+ <widget class="QLabel" name="q_resolution_moderator_label">
+ <property name="text">
+ <string>Moderator:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="5">
+ <widget class="QLineEdit" name="q_resolution_w1_input">
+ <property name="maximumSize">
+ <size>
+ <width>35</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ </item>
+ </layout>
+ </item>
</layout>
</widget>
<widget class="QWidget" name="tab_4">
diff --git a/MantidQt/CustomInterfaces/src/SANSConstants.cpp b/MantidQt/CustomInterfaces/src/SANSConstants.cpp
index 93ffc5689b8ed4ae782a91792d896044413f0c8c..f4ebb7860159f9ba54412ff4b20e5d6389e62444 100644
--- a/MantidQt/CustomInterfaces/src/SANSConstants.cpp
+++ b/MantidQt/CustomInterfaces/src/SANSConstants.cpp
@@ -23,8 +23,8 @@ QString SANSConstants::getPythonSuccessKeyword() {
* @returns the python keyword for an empty object
*/
QString SANSConstants::getPythonEmptyKeyword() {
- const static QString pythonSuccessKeyword = "None";
- return pythonSuccessKeyword;
+ const static QString pythonEmptyKeyword = "None";
+ return pythonEmptyKeyword;
}
/**
@@ -32,10 +32,56 @@ QString SANSConstants::getPythonEmptyKeyword() {
* @returns the python true keyword
*/
QString SANSConstants::getPythonTrueKeyword() {
- const static QString pythonSuccessKeyword = "True";
- return pythonSuccessKeyword;
+ const static QString pythonTrueKeyword = "True";
+ return pythonTrueKeyword;
+}
+
+/**
+ * Defines the python keyword for false , ie False
+ * @returns the python false keyword
+ */
+QString SANSConstants::getPythonFalseKeyword() {
+ const static QString pythonFalseKeyword = "False";
+ return pythonFalseKeyword;
}
+/**
+ * Gets the tooltip for h11 for QResolution
+ * @returns tooltip text for h1
+ */
+QString SANSConstants::getQResolutionH1ToolTipText() {
+ const QString qResolutionH1ToolTipText = "The height of the first aperture in mm.";
+ return qResolutionH1ToolTipText;
+}
+
+/**
+ * Gets the tooltip for h2 for QResolution
+ * @returns tooltip text for h2
+ */
+QString SANSConstants::getQResolutionH2ToolTipText() {
+ const QString qResolutionH2ToolTipText = "The height of the seoncd aperture in mm.";
+ return qResolutionH2ToolTipText;
+}
+
+/**
+ * Gets the tooltip for a1 for QResolution
+ * @returns tooltip text for a1
+ */
+QString SANSConstants::getQResolutionA1ToolTipText() {
+ const QString qResolutionA1ToolTipText = "The diameter for the first aperture";
+ return qResolutionA1ToolTipText;
+}
+
+/**
+ * Gets the tooltip for a2 for QResolution
+ * @returns tooltip text for a2
+ */
+QString SANSConstants::getQResolutionA2ToolTipText() {
+ const QString qResolutionA2ToolTipText = "The diameter for the second aperture";
+ return qResolutionA2ToolTipText;
+}
+
+
/**
* Gets the max double value
* @returns the max double
diff --git a/MantidQt/CustomInterfaces/src/SANSRunWindow.cpp b/MantidQt/CustomInterfaces/src/SANSRunWindow.cpp
index fdb9b58f4dec0cb0c1b326bdd302e3c0b6d53e45..8a70e38da5fe71fe03ab4723ede9784d9007d9db 100644
--- a/MantidQt/CustomInterfaces/src/SANSRunWindow.cpp
+++ b/MantidQt/CustomInterfaces/src/SANSRunWindow.cpp
@@ -244,8 +244,10 @@ void SANSRunWindow::initLayout() {
m_uiForm.centre_logging->attachLoggingChannel();
connect(m_uiForm.clear_centre_log, SIGNAL(clicked()), m_uiForm.centre_logging,
SLOT(clear()));
- connect(m_uiForm.up_down_checkbox, SIGNAL(stateChanged(int)), this, SLOT(onUpDownCheckboxChanged()));
- connect(m_uiForm.left_right_checkbox, SIGNAL(stateChanged(int)), this, SLOT(onLeftRightCheckboxChanged()));
+ connect(m_uiForm.up_down_checkbox, SIGNAL(stateChanged(int)), this,
+ SLOT(onUpDownCheckboxChanged()));
+ connect(m_uiForm.left_right_checkbox, SIGNAL(stateChanged(int)), this,
+ SLOT(onLeftRightCheckboxChanged()));
// Create the widget hash maps
initWidgetMaps();
@@ -319,6 +321,9 @@ void SANSRunWindow::initLayout() {
// Setup the Transmission Settings
initTransmissionSettings();
+ // Setup the QResolution Settings
+ initQResolutionSettings();
+
// Set the validators
setValidators();
@@ -424,7 +429,7 @@ void SANSRunWindow::setupSaveBox() {
SLOT(enableOrDisableDefaultSave()));
}
}
-/** Raises a saveWorkspaces dialog which allows people to save any workspace
+/** Raises a saveWorkspaces dialog which allows people to save any workspace
* workspaces the user chooses
*/
void SANSRunWindow::saveWorkspacesDialog() {
@@ -1040,6 +1045,9 @@ bool SANSRunWindow::loadUserFile() {
// Masking table
updateMaskTable();
+ // Setup the QResolution
+ retrieveQResolutionSettings();
+
if (runReduceScriptFunction("print i.ReductionSingleton().mask.phi_mirror")
.trimmed() == "True") {
m_uiForm.mirror_phi->setChecked(true);
@@ -2302,6 +2310,9 @@ QString SANSRunWindow::readUserFileGUIChanges(const States type) {
// Set the Transmision settings
writeTransmissionSettingsToPythonScript(exec_reduce);
+ // Set the QResolution settings
+ writeQResolutionSettingsToPythonScript(exec_reduce);
+
// set the user defined center (Geometry Tab)
// this information is used just after loading the data in order to move to
// the center
@@ -2404,6 +2415,12 @@ void SANSRunWindow::handleReduceButtonClick(const QString &typeStr) {
// Need to check which mode we're in
if (runMode == SingleMode) {
py_code += readSampleObjectGUIChanges();
+
+ // Provide a final check here to ensure that the settings are consistent. If
+ // they are not consistent, the function
+ // throws and the user has to fix these inconsistencies
+ py_code += "\ni.are_settings_consistent()";
+
py_code += reduceSingleRun();
// output the name of the output workspace, this is returned up by the
// runPythonCode() call below
@@ -2729,7 +2746,8 @@ void SANSRunWindow::handleRunFindCentre() {
py_code += "i.SetDetectorFloodFile('')\n";
// We need to load the FinDirectionEnum class
- py_code += "from centre_finder import FindDirectionEnum as FindDirectionEnum \n";
+ py_code +=
+ "from centre_finder import FindDirectionEnum as FindDirectionEnum \n";
// Find centre function
py_code += "i.FindBeamCentre(rlow=" + m_uiForm.beam_rmin->text() + ",rupp=" +
m_uiForm.beam_rmax->text() + ",MaxIter=" +
@@ -2756,7 +2774,7 @@ void SANSRunWindow::handleRunFindCentre() {
setProcessingState(Ready);
return;
}
- py_code += ", tolerance=" + QString::number(tolerance);
+ py_code += ", tolerance=" + QString::number(tolerance);
// Set which part of the beam centre finder should be used
auto updownIsRequired = m_uiForm.up_down_checkbox->isChecked();
@@ -4379,8 +4397,9 @@ bool SANSRunWindow::areSettingsValid() {
m_uiForm.q_dq_opt, "Qx");
// TRANS SAMPLE
- checkWaveLengthAndQValues(isValid, message, m_uiForm.trans_min,
- m_uiForm.trans_max, m_uiForm.trans_opt, "Trans");
+ if (m_uiForm.transFit_ck->isChecked())
+ checkWaveLengthAndQValues(isValid, message, m_uiForm.trans_min,
+ m_uiForm.trans_max, m_uiForm.trans_opt, "Trans");
// TRANS CAN
if (m_uiForm.trans_selector_opt->currentText().toUpper().contains(
@@ -4457,8 +4476,7 @@ void SANSRunWindow::updateBeamCenterCoordinates() {
// from the ticket #5942 both detectors have center coordinates
double dbl_param =
runReduceScriptFunction(
- "print i.ReductionSingleton().get_beam_center('rear')[0]")
- .toDouble();
+ "print i.ReductionSingleton().get_beam_center('rear')[0]").toDouble();
// get the scale factor1 for the beam centre to scale it correctly
double dbl_paramsf =
runReduceScriptFunction(
@@ -4470,9 +4488,9 @@ void SANSRunWindow::updateBeamCenterCoordinates() {
runReduceScriptFunction(
"print i.ReductionSingleton().get_beam_center_scale_factor2()")
.toDouble();
- dbl_param = runReduceScriptFunction(
- "print i.ReductionSingleton().get_beam_center('rear')[1]")
- .toDouble();
+ dbl_param =
+ runReduceScriptFunction(
+ "print i.ReductionSingleton().get_beam_center('rear')[1]").toDouble();
m_uiForm.rear_beam_y->setText(QString::number(dbl_param * dbl_paramsf));
// front
dbl_param = runReduceScriptFunction(
@@ -4493,9 +4511,9 @@ void SANSRunWindow::setBeamFinderDetails() {
auto instrumentName = m_uiForm.inst_opt->currentText();
// Set the labels according to the instrument
- auto requiresAngle = runReduceScriptFunction(
- "print i.is_current_workspace_an_angle_workspace()")
- .simplified();
+ auto requiresAngle =
+ runReduceScriptFunction(
+ "print i.is_current_workspace_an_angle_workspace()").simplified();
QString labelPosition;
if (requiresAngle == m_constants.getPythonTrueKeyword()) {
labelPosition = "Current ( " + QString(QChar(0x03B2)) + " , y ) [";
@@ -4507,5 +4525,327 @@ void SANSRunWindow::setBeamFinderDetails() {
m_uiForm.beam_centre_finder_groupbox->setTitle(labelPosition);
}
+/**
+ * Retrieves the Q resolution settings and apply them to the GUI
+ */
+void SANSRunWindow::retrieveQResolutionSettings() {
+ // Set if the QResolution should be used at all
+ QString getUseage = "i.get_q_resultution_use()\n";
+ QString resultUsage(runPythonCode(getUseage, false));
+ resultUsage = resultUsage.simplified();
+ if (resultUsage == m_constants.getPythonTrueKeyword()) {
+ m_uiForm.q_resolution_group_box->setChecked(true);
+ } else if (resultUsage == m_constants.getPythonFalseKeyword()) {
+ m_uiForm.q_resolution_group_box->setChecked(false);
+ } else {
+ g_log.warning(resultUsage.toStdString());
+ g_log.warning("Not a valid setting for the useage of QResolution");
+ m_uiForm.q_resolution_group_box->setChecked(false);
+ }
+
+ // Set the Collimation length
+ auto resultCollimationLength =
+ retrieveQResolutionGeometry("i.get_q_resolution_collimation_length()\n");
+ m_uiForm.q_resolution_collimation_length_input->setText(
+ resultCollimationLength);
+
+ // Set the Delta R value
+ auto resultDeltaR =
+ retrieveQResolutionGeometry("i.get_q_resolution_delta_r()\n");
+ m_uiForm.q_resolution_delta_r_input->setText(resultDeltaR);
+
+ // Set the moderator file
+ QString getModeratorFile = "i.get_q_resolution_moderator()\n";
+ QString resultModeratorFile = runPythonCode(getModeratorFile, false);
+ if (resultModeratorFile == m_constants.getPythonEmptyKeyword()) {
+ resultModeratorFile = "";
+ }
+ m_uiForm.q_resolution_moderator_input->setText(resultModeratorFile);
+
+ // Set the geometry, ie if rectangular or circular aperture
+ retrieveQResolutionAperture();
+}
+
+/**
+ * Retrieve the QResolution setting for the aperture. Select the aperture
+ * type depending on the available values, ie if there are H1, W1, H2, W2
+ * specified,
+ * then we are dealing with are rectangular aperture, else with a circular
+ */
+void SANSRunWindow::retrieveQResolutionAperture() {
+ // Get the H1, W1, H2, W2
+ auto h1 = retrieveQResolutionGeometry("i.get_q_resolution_h1()\n");
+ auto w1 = retrieveQResolutionGeometry("i.get_q_resolution_w1()\n");
+ auto h2 = retrieveQResolutionGeometry("i.get_q_resolution_h2()\n");
+ auto w2 = retrieveQResolutionGeometry("i.get_q_resolution_w2()\n");
+
+ // If at least one of them is empty, then use circular, otherwise use
+ // rectangular
+ auto useCircular =
+ h1.isEmpty() || w1.isEmpty() || h2.isEmpty() || w2.isEmpty();
+ if (useCircular) {
+ setupQResolutionCircularAperture();
+ } else {
+ setupQResolutionRectangularAperture(h1, w1, h2, w2);
+ }
+}
+
+/**
+ * Gets the geometry settings and checks if they are empty or not
+ * @param command: the python command to execute
+ * @returns either a length (string) in mm or an empty string
+ */
+QString SANSRunWindow::retrieveQResolutionGeometry(QString command) {
+ QString result(runPythonCode(command, false));
+ result = result.simplified();
+ if (result == m_constants.getPythonEmptyKeyword()) {
+ result = "";
+ }
+ return result;
+}
+
+/**
+ * Setup the GUI for use with a circular aperture
+ */
+void SANSRunWindow::setupQResolutionCircularAperture() {
+ // Get the apertures of the diameter
+ auto a1 = retrieveQResolutionGeometry("i.get_q_resolution_a1()\n");
+ auto a2 = retrieveQResolutionGeometry("i.get_q_resolution_a2()\n");
+
+ setQResolutionApertureType(QResoluationAperture::CIRCULAR, "A1 [mm]",
+ "A2 [mm]", a1, a2,
+ m_constants.getQResolutionA1ToolTipText(),
+ m_constants.getQResolutionA2ToolTipText(), true);
+}
+
+/**
+ * Setup the GUI for use with a rectangular aperture
+ * @param h1: the height of the first aperture
+ * @param w1: the width of the first aperture
+ * @param h2: the height of the second aperture
+ * @param w2: the width of the second aperture
+ */
+void SANSRunWindow::setupQResolutionRectangularAperture(QString h1, QString w1,
+ QString h2,
+ QString w2) {
+ // Set the QResolution Aperture
+ setQResolutionApertureType(QResoluationAperture::RECTANGULAR, "H1 [mm]",
+ "H2 [mm]", h1, h2,
+ m_constants.getQResolutionH1ToolTipText(),
+ m_constants.getQResolutionH2ToolTipText(), false);
+
+ // Set the W1 and W2 values
+ m_uiForm.q_resolution_w1_input->setText(w1);
+ m_uiForm.q_resolution_w2_input->setText(w2);
+
+ // Set the ToolTip for a1
+ m_uiForm.q_resolution_a1_h1_input->setToolTip(
+ m_constants.getQResolutionH1ToolTipText());
+ m_uiForm.q_resolution_a1_h1_label->setToolTip(
+ m_constants.getQResolutionH1ToolTipText());
+
+ // Set the ToolTip for a2
+ m_uiForm.q_resolution_a2_h2_input->setToolTip(
+ m_constants.getQResolutionH2ToolTipText());
+ m_uiForm.q_resolution_a2_h2_label->setToolTip(
+ m_constants.getQResolutionH2ToolTipText());
+}
+
+/**
+ * Setup the GUI for use iwth a rectangular aperture
+ */
+void SANSRunWindow::setupQResolutionRectangularAperture() {
+ auto h1 = retrieveQResolutionGeometry("i.get_q_resolution_h1()\n");
+ auto w1 = retrieveQResolutionGeometry("i.get_q_resolution_w1()\n");
+ auto h2 = retrieveQResolutionGeometry("i.get_q_resolution_h2()\n");
+ auto w2 = retrieveQResolutionGeometry("i.get_q_resolution_w2()\n");
+
+ setupQResolutionRectangularAperture(h1, w1, h2, w2);
+}
+
+/**
+ * Set the QResolution aperture GUI
+ * @param apertureType: the type of the aperture
+ * @param a1H1Label: the label for the a1/h1 input
+ * @param a2H2Label: the label for the a2/h2 input
+ * @param a1H1: the a1H1 value
+ * @param a2H2: the a2H2 value
+ * @param toolTipA1H1: the tooltip text for the first aperture parameter
+ * @param toolTipA2H2: the tooltip text for the second aperture parameter
+ * @param w1W2Disabled: if the w1W2Inputs should be disabled
+ */
+void SANSRunWindow::setQResolutionApertureType(
+ QResoluationAperture apertureType, QString a1H1Label, QString a2H2Label,
+ QString a1H1, QString a2H2, QString toolTipA1H1, QString toolTipA2H2,
+ bool w1W2Disabled) {
+ // Set the labels
+ m_uiForm.q_resolution_a1_h1_label->setText(a1H1Label);
+ m_uiForm.q_resolution_a2_h2_label->setText(a2H2Label);
+
+ // Set the values
+ m_uiForm.q_resolution_a1_h1_input->setText(a1H1);
+ m_uiForm.q_resolution_a2_h2_input->setText(a2H2);
+
+ // Ensure that the W1 and W2 boxes are not accesible
+ m_uiForm.q_resolution_w1_label->setDisabled(w1W2Disabled);
+ m_uiForm.q_resolution_w2_label->setDisabled(w1W2Disabled);
+ m_uiForm.q_resolution_w1_input->setDisabled(w1W2Disabled);
+ m_uiForm.q_resolution_w2_input->setDisabled(w1W2Disabled);
+
+ // Set the QCheckBox to the correct value
+ m_uiForm.q_resolution_combo_box->setCurrentIndex(apertureType);
+
+ // Set the ToolTip for a1/a2
+ m_uiForm.q_resolution_a1_h1_input->setToolTip(toolTipA1H1);
+ m_uiForm.q_resolution_a1_h1_label->setToolTip(toolTipA1H1);
+
+ // Set the ToolTip for a2
+ m_uiForm.q_resolution_a2_h2_input->setToolTip(toolTipA2H2);
+ m_uiForm.q_resolution_a2_h2_label->setToolTip(toolTipA2H2);
+}
+
+/**
+ * Write the GUI changes for the QResolution settings to the python code string
+ * @param pythonCode: A reference to the python code
+ */
+void SANSRunWindow::writeQResolutionSettingsToPythonScript(
+ QString &pythonCode) {
+ // Clear the current settings
+ pythonCode += "i.reset_q_resolution_settings()\n";
+ const QString lineEnding1 = ")\n";
+ const QString lineEnding2 = "')\n";
+ // Set usage of QResolution
+ auto usageGUI = m_uiForm.q_resolution_group_box->isChecked();
+ QString useage = usageGUI ? m_constants.getPythonTrueKeyword()
+ : m_constants.getPythonFalseKeyword();
+ pythonCode += "i.set_q_resolution_use(use=" + useage + ")\n";
+
+ // Set collimation length
+ auto collimationLength =
+ m_uiForm.q_resolution_collimation_length_input->text().simplified();
+ writeQResolutionSettingsToPythonScriptSingleEntry(
+ collimationLength,
+ "i.set_q_resolution_collimation_length(collimation_length=", lineEnding1,
+ pythonCode);
+ // Set the moderator file
+ auto moderatorFile =
+ m_uiForm.q_resolution_moderator_input->text().simplified();
+ writeQResolutionSettingsToPythonScriptSingleEntry(
+ moderatorFile, "i.set_q_resolution_moderator(file_name='", lineEnding2,
+ pythonCode);
+ // Set the delta r value
+ auto deltaR = m_uiForm.q_resolution_delta_r_input->text().simplified();
+ writeQResolutionSettingsToPythonScriptSingleEntry(
+ deltaR, "i.set_q_resolution_delta_r(delta_r=", lineEnding1, pythonCode);
+ // Set the aperture properties depending on the aperture type
+ auto a1H1 = m_uiForm.q_resolution_a1_h1_input->text().simplified();
+ auto a2H2 = m_uiForm.q_resolution_a2_h2_input->text().simplified();
+ if (m_uiForm.q_resolution_combo_box->currentIndex() ==
+ QResoluationAperture::CIRCULAR) {
+ writeQResolutionSettingsToPythonScriptSingleEntry(
+ a1H1, "i.set_q_resolution_a1(a1=", lineEnding1, pythonCode);
+ writeQResolutionSettingsToPythonScriptSingleEntry(
+ a2H2, "i.set_q_resolution_a2(a2=", lineEnding1, pythonCode);
+ } else if (m_uiForm.q_resolution_combo_box->currentIndex() ==
+ QResoluationAperture::RECTANGULAR) {
+ writeQResolutionSettingsToPythonScriptSingleEntry(
+ a1H1, "i.set_q_resolution_h1(h1=", lineEnding1, pythonCode);
+ writeQResolutionSettingsToPythonScriptSingleEntry(
+ a2H2, "i.set_q_resolution_h2(h2=", lineEnding1, pythonCode);
+ // Set the W1 and W2 parameters
+ auto w1 = m_uiForm.q_resolution_w1_input->text().simplified();
+ writeQResolutionSettingsToPythonScriptSingleEntry(
+ w1, "i.set_q_resolution_w1(w1=", lineEnding1, pythonCode);
+ auto w2 = m_uiForm.q_resolution_w2_input->text().simplified();
+ writeQResolutionSettingsToPythonScriptSingleEntry(
+ w2, "i.set_q_resolution_w2(w2=", lineEnding1, pythonCode);
+ } else {
+ g_log.error("SANSRunWindow: Tried to select a QResolution aperture which "
+ "does not seem to exist");
+ }
+}
+
+/**
+ * Write a single line of python code for Q Resolution
+ * @param value: The value to set
+ * @param code_entry: tye python method to run
+ * @param lineEnding: the line ending
+ * @param py_code: the code segment to which we want to append
+ */
+void SANSRunWindow::writeQResolutionSettingsToPythonScriptSingleEntry(
+ QString value, QString code_entry, const QString lineEnding,
+ QString &py_code) const {
+ if (!value.isEmpty()) {
+ py_code += code_entry + value + lineEnding;
+ }
+}
+
+/**
+ * Handle a chagne of the QResolution aperture selection
+ * @param aperture: the current index
+ */
+void SANSRunWindow::handleQResolutionApertureChange(int aperture) {
+ if (aperture == QResoluationAperture::CIRCULAR) {
+ setupQResolutionCircularAperture();
+ } else if (aperture == QResoluationAperture::RECTANGULAR) {
+ setupQResolutionRectangularAperture();
+ } else {
+ g_log.error("SANSRunWindow: Tried to select a QResolution aperture which "
+ "does not seem to exist");
+ }
+}
+
+/**
+ * Initialize the QResolution settings
+ */
+void SANSRunWindow::initQResolutionSettings() {
+ // Connect the change of the change of the aperture
+ QObject::connect(m_uiForm.q_resolution_combo_box,
+ SIGNAL(currentIndexChanged(int)), this,
+ SLOT(handleQResolutionApertureChange(int)));
+
+ // Set the Tooltips for Moderator
+ const QString moderator("The full path to the moderator file.");
+ m_uiForm.q_resolution_moderator_input->setToolTip(moderator);
+ m_uiForm.q_resolution_moderator_label->setToolTip(moderator);
+
+ // Set the ToolTip for the Collimation length
+ const QString collimationLength("The collimation length in m.");
+ m_uiForm.q_resolution_collimation_length_input->setToolTip(collimationLength);
+ m_uiForm.q_resolution_collimation_length_label->setToolTip(collimationLength);
+
+ // Set the ToolTip for Delta R
+ const QString deltaR("The delta r in mm.");
+ m_uiForm.q_resolution_delta_r_input->setToolTip(deltaR);
+ m_uiForm.q_resolution_delta_r_label->setToolTip(deltaR);
+
+ // Set the ToolTip for w1
+ const QString w1("The width of the first aperture in mm.");
+ m_uiForm.q_resolution_w1_input->setToolTip(w1);
+ m_uiForm.q_resolution_w1_label->setToolTip(w1);
+
+ // Set the ToolTip for w2
+ const QString w2("The width of the second aperture in mm.");
+ m_uiForm.q_resolution_w2_input->setToolTip(w2);
+ m_uiForm.q_resolution_w2_label->setToolTip(w2);
+
+ // Set the dropdown menu
+ const QString aperture("Select if a circular or rectangular aperture \n"
+ "should be used");
+ m_uiForm.q_resolution_combo_box->setToolTip(aperture);
+
+ // Set the ToolTip for a1
+ m_uiForm.q_resolution_a1_h1_input->setToolTip(
+ m_constants.getQResolutionA1ToolTipText());
+ m_uiForm.q_resolution_a1_h1_label->setToolTip(
+ m_constants.getQResolutionA1ToolTipText());
+
+ // Set the ToolTip for a2
+ m_uiForm.q_resolution_a2_h2_input->setToolTip(
+ m_constants.getQResolutionA2ToolTipText());
+ m_uiForm.q_resolution_a2_h2_label->setToolTip(
+ m_constants.getQResolutionA2ToolTipText());
+}
+
} // namespace CustomInterfaces
} // namespace MantidQt
diff --git a/Testing/SystemTests/tests/analysis/SANSQResolutionTest.py b/Testing/SystemTests/tests/analysis/SANSQResolutionTest.py
new file mode 100644
index 0000000000000000000000000000000000000000..27d110e3c6155b4dff3aacfd9d9713cd54da0f1c
--- /dev/null
+++ b/Testing/SystemTests/tests/analysis/SANSQResolutionTest.py
@@ -0,0 +1,57 @@
+#pylint: disable=no-init
+import stresstesting
+from mantid.simpleapi import *
+from ISISCommandInterface import *
+
+class SANSQResolutionWithoutGravity(stresstesting.MantidStressTest):
+ def runTest(self):
+ SANS2D()
+ MaskFile('MASKSANS2D_094i_RKH.txt')
+ SetDetectorOffsets('REAR', -16.0, 58.0, 0.0, 0.0, 0.0, 0.0)
+ SetDetectorOffsets('FRONT', -44.0, -20.0, 47.0, 0.0, 1.0, 1.0)
+ Gravity(False)
+ Set1D()
+ AssignSample('2500.nxs')
+
+ # Provide settings for QResolution
+ set_q_resolution_use(True)
+ moderator_file_name = "ModeratorStdDev_TS2_SANS_30Jul2015.txt"
+ set_q_resolution_a1(a1 = 2)
+ set_q_resolution_a2(a2 = 3)
+ set_q_resolution_delta_r(delta_r = 2)
+ set_q_resolution_collimation_length(collimation_length=10)
+ set_q_resolution_moderator(file_name = moderator_file_name)
+
+ WavRangeReduction(4.6, 12.85, False)
+
+ def validate(self):
+ self.disableChecking.append('Instrument')
+ return True
+
+class SANSQResolutionWithGravity(stresstesting.MantidStressTest):
+ def runTest(self):
+ SANS2D()
+ MaskFile('MASKSANS2D_094i_RKH.txt')
+ SetDetectorOffsets('REAR', -16.0, 58.0, 0.0, 0.0, 0.0, 0.0)
+ SetDetectorOffsets('FRONT', -44.0, -20.0, 47.0, 0.0, 1.0, 1.0)
+ Gravity(flag = True, extra_length = 10.0)
+ Set1D()
+ AssignSample('2500.nxs')
+
+ # Provide settings for QResolution
+ set_q_resolution_use(True)
+ moderator_file_name = "ModeratorStdDev_TS2_SANS_30Jul2015.txt"
+ set_q_resolution_h1(h1 = 2)
+ set_q_resolution_w1(w1 = 3)
+ set_q_resolution_h2(h2 = 4)
+ set_q_resolution_w2(w2 = 5)
+
+ set_q_resolution_delta_r(delta_r = 2)
+ set_q_resolution_collimation_length(collimation_length=5)
+ set_q_resolution_moderator(file_name = moderator_file_name)
+
+ WavRangeReduction(4.6, 12.85, False)
+
+ def validate(self):
+ self.disableChecking.append('Instrument')
+ return True
diff --git a/instrument/SANS2D_Parameters.xml b/instrument/SANS2D_Parameters.xml
index 0b77a59c67ad7961949bafc5d086aef6d5e0ebe0..1af3f09a1e0b62c90485a8839fe287757ef8f299 100644
--- a/instrument/SANS2D_Parameters.xml
+++ b/instrument/SANS2D_Parameters.xml
@@ -48,27 +48,27 @@
</parameter>
<parameter name="collimation-length-correction">
- <!-- This is a correction length in meter for the L1 value to obtain the default collimation length-->
+<!-- This is a correction length in meter for the L1 value to obtain the default collimation length-->
<value val="17.2765"/>
</parameter>
-<parameter name="special-default-collimation-length-method">
- <!-- This method determines how the default collimation is to be calculated-->
+<parameter name="special-default-collimation-length-method" type="string">
+<!-- This method determines how the default collimation is to be calculated-->
<value val="guide"/>
</parameter>
<parameter name="guide-collimation-length-increment">
- <!-- This is a correction length increment in meter-->
+<!-- This is a correction length increment in meter-->
<value val="2.0"/>
</parameter>
<parameter name="guide-cutoff">
- <!-- This is the cutoff value for the guides-->
+<!-- This is the cutoff value for the guides-->
<value val="130.0"/>
</parameter>
<parameter name="number-of-guides">
- <!-- This number of guides-->
+<!-- This number of guides-->
<value val="5"/>
</parameter>
diff --git a/instrument/SANS2D_Parameters_Tubes.xml b/instrument/SANS2D_Parameters_Tubes.xml
index ee0931ce6f5a3d0631345d52f9be2ac08468569f..1ccf3194d107ea9340c6cd4c48fecb7193d0b018 100644
--- a/instrument/SANS2D_Parameters_Tubes.xml
+++ b/instrument/SANS2D_Parameters_Tubes.xml
@@ -48,27 +48,27 @@
</parameter>
<parameter name="collimation-length-correction">
- <!-- This is a correction length in meter for the L1 value to obtain the default collimation length-->
+<!-- This is a correction length in meter for the L1 value to obtain the default collimation length-->
<value val="17.2765"/>
</parameter>
-<parameter name="special-default-collimation-length-method">
- <!-- This method determines how the default collimation is to be calculated-->
+<parameter name="special-default-collimation-length-method" type="string">
+<!-- This method determines how the default collimation is to be calculated-->
<value val="guide"/>
</parameter>
<parameter name="guide-collimation-length-increment">
- <!-- This is a correction length increment in meter-->
+<!-- This is a correction length increment in meter-->
<value val="2.0"/>
</parameter>
<parameter name="guide-cutoff">
- <!-- This is the cutoff value for the guides-->
+<!-- This is the cutoff value for the guides-->
<value val="130.0"/>
</parameter>
<parameter name="number-of-guides">
- <!-- This number of guides-->
+<!-- This number of guides-->
<value val="5"/>
</parameter>
diff --git a/scripts/SANS/ISISCommandInterface.py b/scripts/SANS/ISISCommandInterface.py
index 41ab1de5f8bb008e1a871655be6858323e7b6f33..f418e0afdc93d0927be7a9d7ea58496b83465d93 100644
--- a/scripts/SANS/ISISCommandInterface.py
+++ b/scripts/SANS/ISISCommandInterface.py
@@ -25,7 +25,8 @@ try:
import mantidplot
except:
mantidplot = None
- #this should happen when this is called from outside Mantidplot and only then, the result is that attempting to plot will raise an exception
+ #this should happen when this is called from outside Mantidplot and only then,
+ #the result is that attempting to plot will raise an exception
pass
try:
@@ -500,10 +501,26 @@ def WavRangeReduction(wav_start=None, wav_end=None, full_trans_wav=None, name_su
Cf_can = CropWorkspace(InputWorkspace=Cf_can, OutputWorkspace=Cf_can, XMin=minQ, XMax=maxQ)
Cr_can = CropWorkspace(InputWorkspace=Cr_can, OutputWorkspace=Cr_can, XMin=minQ, XMax=maxQ)
- mergedQ = (Cf+shift*Nf+Cr)/(Nf/scale + Nr)
+ # We want: (Cf+shift*Nf+Cr)/(Nf/scale + Nr)
+ shifted_norm_front = Scale(InputWorkspace = Nf, Operation = "Multiply", Factor = shift)
+ scaled_norm_front = Scale(InputWorkspace = Nf, Operation = "Multiply", Factor = (1./scale))
+ dividend = Cf + shifted_norm_front + Cr
+ divisor = scaled_norm_front + Nr
+ mergedQ = dividend/divisor
+
+ DeleteWorkspace(dividend)
+ DeleteWorkspace(divisor)
+ DeleteWorkspace(scaled_norm_front)
+ DeleteWorkspace(shifted_norm_front)
+
if consider_can:
mergedQ -= (Cf_can+Cr_can)/(Nf_can/scale + Nr_can)
+ # We need to correct the errors. Note that the Can contribution is ignored here.
+ su.correct_q_resolution_for_merged(count_ws_front = Cf,
+ count_ws_rear = Cr,
+ output_ws = mergedQ,
+ scale = scale)
RenameWorkspace(InputWorkspace=mergedQ,OutputWorkspace= retWSname_merged)
# save the properties Transmission and TransmissionCan inside the merged workspace
@@ -533,8 +550,10 @@ def WavRangeReduction(wav_start=None, wav_end=None, full_trans_wav=None, name_su
#applying scale and shift on the front detector reduced data
if reduce_front_flag:
frontWS = mtd[retWSname_front]
- frontWS = (frontWS+shift)*scale
+ buffer = Scale(InputWorkspace = frontWS, Operation = "Add", Factor = shift)
+ frontWS = Scale(InputWorkspace = buffer, Operation = "Multiply", Factor = scale)
RenameWorkspace(InputWorkspace=frontWS,OutputWorkspace= retWSname_front)
+ DeleteWorkspace(buffer)
# finished calculating cross section so can restore these value
ReductionSingleton().to_Q.outputParts = toRestoreOutputParts
@@ -1442,6 +1461,255 @@ def AddRuns(runs, instrument ='sans2d', saveAsEvent=False, binning = "Monitors",
isOverlay = isOverlay,
time_shifts = time_shifts)
+
+
+##################### Accesor functions for QResolution
+def get_q_resolution_moderator():
+ '''
+ Gets the moderator file path
+ @returns the moderator file path or nothing
+ '''
+ val = ReductionSingleton().to_Q.get_q_resolution_moderator()
+ if val == None:
+ val = ''
+ print str(val)
+ return val
+
+def set_q_resolution_moderator(file_name):
+ '''
+ Sets the moderator file path
+ @param file_name: the full file path
+ '''
+ try:
+ ReductionSingleton().to_Q.set_q_resolution_moderator(file_name)
+ except RuntimeError, details:
+ sanslog.error("The specified moderator file could not be found. Please specify a file"
+ "which exists in the search directories. See details: %s" %str(details))
+
+#-- Use q resoltion
+def get_q_resultution_use():
+ '''
+ Gets if the q resolution option is being used
+ @returns true if the resolution option is being used, else false
+ '''
+ val = ReductionSingleton().to_Q.get_use_q_resolution()
+ print str(val)
+ return val
+
+def set_q_resolution_use(use):
+ '''
+ Sets if the q resolution option is being used
+ @param use: use flag
+ '''
+ if use == True:
+ ReductionSingleton().to_Q.set_use_q_resolution(True)
+ elif use == False:
+ ReductionSingleton().to_Q.set_use_q_resolution(False)
+ else:
+ sanslog.warning('Warning: Could could not set useage of QResolution')
+
+#-- Collimation length
+def get_q_resolution_collimation_length():
+ '''
+ Get the collimation length
+ @returns the collimation length in mm
+ '''
+ element = ReductionSingleton().to_Q.get_q_resolution_collimation_length()
+ msg = "CollimationLength"
+ if su.is_convertible_to_float(element) or not element:
+ pass
+ else:
+ sanslog.warning('Warning: Could not convert %s to float.' % msg)
+ print str(element)
+ return element
+
+def set_q_resolution_collimation_length(collimation_length):
+ '''
+ Sets the collimation length
+ @param collimation_length: the collimation length
+ '''
+ if collimation_length == None:
+ return
+ msg = "Collimation Length"
+ if su.is_convertible_to_float(collimation_length):
+ c_l = float(collimation_length)
+ ReductionSingleton().to_Q.set_q_resolution_collimation_length(c_l)
+ else:
+ sanslog.warning('Warning: Could not convert %s to float.' % msg)
+
+
+#-- Delta R
+def get_q_resolution_delta_r():
+ '''
+ Get the delta r value
+ @returns the delta r in mm
+ '''
+ val = get_q_resolution_float(ReductionSingleton().to_Q.get_q_resolution_delta_r, "DeltaR")
+ print str(val)
+ return val
+
+def set_q_resolution_delta_r(delta_r):
+ '''
+ Sets the delta r value
+ @param delta_r: the delta r value
+ '''
+ set_q_resolution_float(ReductionSingleton().to_Q.set_q_resolution_delta_r, delta_r, "DeltaR")
+
+#-- A1
+def get_q_resolution_a1():
+ '''
+ Get the A1 diameter
+ @returns the diameter for the first aperature in mm
+ '''
+ val = get_q_resolution_float(ReductionSingleton().to_Q.get_q_resolution_a1, "A1")
+ print str(val)
+ return val
+
+def set_q_resolution_a1(a1):
+ '''
+ Sets the a1 value
+ @param a1: the a1 value in mm
+ '''
+ set_q_resolution_float(ReductionSingleton().to_Q.set_q_resolution_a1, a1, "A1")
+
+#-- A2
+def get_q_resolution_a2():
+ '''
+ Get the A2 diameter
+ @returns the diameter for the second aperature in mm
+ '''
+ val = get_q_resolution_float(ReductionSingleton().to_Q.get_q_resolution_a2, "A2")
+ print str(val)
+ return val
+
+def set_q_resolution_a2(a2):
+ '''
+ Sets the a2 value
+ @param a2: the a2 value in mm
+ '''
+ set_q_resolution_float(ReductionSingleton().to_Q.set_q_resolution_a2, a2, "A2")
+
+#-- H1
+def get_q_resolution_h1():
+ '''
+ Get the first height for rectangular apertures
+ @returns the first height in mm
+ '''
+ val = get_q_resolution_float(ReductionSingleton().to_Q.get_q_resolution_h1, "H1")
+ print str(val)
+ return val
+
+def set_q_resolution_h1(h1):
+ '''
+ Set the first height for rectangular apertures
+ @param h1: the first height in mm
+ '''
+ set_q_resolution_float(ReductionSingleton().to_Q.set_q_resolution_h1, h1, "H1")
+
+#-- H2
+def get_q_resolution_h2():
+ '''
+ Get the second height for rectangular apertures
+ @returns the second height in mm
+ '''
+ val = get_q_resolution_float(ReductionSingleton().to_Q.get_q_resolution_h2, "H2")
+ print str(val)
+ return val
+
+def set_q_resolution_h2(h2):
+ '''
+ Set the second height for rectangular apertures
+ @param h2: the second height in mm
+ '''
+ set_q_resolution_float(ReductionSingleton().to_Q.set_q_resolution_h2, h2, "H2")
+
+#-- W1
+def get_q_resolution_w1():
+ '''
+ Get the first width for rectangular apertures
+ @returns the first width in mm
+ '''
+ val = get_q_resolution_float(ReductionSingleton().to_Q.get_q_resolution_w1, "W1")
+ print str(val)
+ return val
+
+def set_q_resolution_w1(w1):
+ '''
+ Set the first width for rectangular apertures
+ @param w1: the first width in mm
+ '''
+ set_q_resolution_float(ReductionSingleton().to_Q.set_q_resolution_w1, w1, "W1")
+
+#-- W2
+def get_q_resolution_w2():
+ '''
+ Get the second width for rectangular apertures
+ @returns the second width in mm
+ '''
+ val = get_q_resolution_float(ReductionSingleton().to_Q.get_q_resolution_w2, "W2")
+ print str(val)
+ return val
+
+def set_q_resolution_w2(w2):
+ '''
+ Set the second width for rectangular apertures
+ @param w1: the second width in mm
+ '''
+ set_q_resolution_float(ReductionSingleton().to_Q.set_q_resolution_w2, w2, "W2")
+
+
+#-- Reset
+def reset_q_resolution_settings():
+ '''
+ Resets the q settings
+ '''
+ ReductionSingleton().to_Q.reset_q_settings()
+
+#-- Set float value
+def set_q_resolution_float(func, arg, msg):
+ '''
+ Set a q resolution value
+ @param func: the speficied function to run
+ @param arg: the argument
+ @param mgs: error message
+ '''
+ if arg == None:
+ return
+
+ if su.is_convertible_to_float(arg):
+ d_r = su.millimeter_2_meter(float(arg))
+ func(d_r)
+ else:
+ sanslog.warning('Warning: Could not convert %s to float.' % msg)
+
+def get_q_resolution_float(func, msg):
+ '''
+ Gets a q resolution value and checks if it has been set.
+ @param func: the speficied function to run
+ @param mgs: error message
+ @return the correct value
+ '''
+ element = func()
+
+ if su.is_convertible_to_float(element):
+ element = su.meter_2_millimeter(element)
+ elif not element:
+ pass
+ else:
+ sanslog.warning('Warning: Could not convert %s to float.' % msg)
+ return element
+
+def are_settings_consistent():
+ '''
+ Runs the consistency check over all reductionssteps and reports cosistency
+ issues to the user. The user needs to sort out these issues.
+ '''
+ try:
+ ReductionSingleton().perform_consistency_check()
+ except RuntimeError, details:
+ sanslog.error("There was an inconsistency issue with your settings. See details: %s" % str(details))
+ raise RuntimeError("Please fix the following inconsistencies: %s" % str(details))
+
def is_current_workspace_an_angle_workspace():
'''
Queries if the current workspace, stored in the reducer is a workspace
diff --git a/scripts/SANS/SANSUtility.py b/scripts/SANS/SANSUtility.py
index c594e7548e3d319888d9136a2b8c14c6831b8221..00e66a500675e9cd6a5035926f19b6f6ef40d0d0 100644
--- a/scripts/SANS/SANSUtility.py
+++ b/scripts/SANS/SANSUtility.py
@@ -976,12 +976,19 @@ def is_convertible_to_float(input_value):
'''
Check if the input can be converted to float
@param input_value :: a general input
+ @returns true if input can be converted to float else false
'''
- try:
- dummy_converted = float(input_value)
- except ValueError:
- return False
- return True
+ is_convertible = True
+ if not input_value:
+ is_convertible = False
+ else:
+ try:
+ dummy_converted = float(input_value)
+ is_convertible = True
+ except ValueError:
+ is_convertible = False
+ return is_convertible
+
def is_valid_xml_file_list(input_value):
'''
@@ -1133,6 +1140,104 @@ def is_1D_workspace(workspace):
else:
return False
+def meter_2_millimeter(num):
+ '''
+ Converts from m to mm
+ @param float in m
+ @returns float in mm
+ '''
+ return num*1000.
+
+def millimeter_2_meter(num):
+ '''
+ Converts from mm to m
+ @param float in mm
+ @returns float in m
+ '''
+ return num/1000.
+
+def correct_q_resolution_for_can(original_workspace, can_workspace, subtracted_workspace):
+ '''
+ We need to transfer the DX error values from the original workspaces to the subtracted
+ workspace. Richard wants us to ignore potential DX values for the CAN workspace (they
+ would be very small any way). The Q Resolution functionality only exists currently
+ for 1D, ie when only one spectrum is present.
+ @param original_workspace: the original workspace
+ @param can_workspace: the can workspace
+ @param subtracted_workspace: the subtracted workspace
+ '''
+ dummy1 = can_workspace
+ if original_workspace.getNumberHistograms() == 1:
+ subtracted_workspace.setDx(0, original_workspace.dataDx(0))
+
+def correct_q_resolution_for_merged(count_ws_front, count_ws_rear,
+ output_ws, scale):
+ '''
+ We need to transfer the DX error values from the original workspaces to the merged worksapce.
+ We have:
+ C(Q) = Sum_all_lambda_for_particular_Q(Counts(lambda))
+ weightedQRes(Q) = Sum_all_lambda_for_particular_Q(Counts(lambda)* qRes(lambda))
+ ResQ(Q) = weightedQRes(Q)/C(Q)
+ Richard suggested:
+ ResQMerged(Q) = (weightedQRes_FRONT(Q)*scale + weightedQRes_REAR(Q))/
+ (C_FRONT(Q)*scale + C_REAR(Q))
+ Note that we drop the shift here.
+ The Q Resolution functionality only exists currently
+ for 1D, ie when only one spectrum is present.
+ @param count_ws_front: the front counts
+ @param count_ws_rear: the rear counts
+ @param output_ws: the output workspace
+ '''
+ def divide_q_resolution_by_counts(q_res, counts):
+ # We are dividing DX by Y. Note that len(DX) = len(Y) + 1
+ # Unfortunately, we need some knowlege about the Q1D algorithm here.
+ # The two last entries of DX are duplicate in Q1D and this is how we
+ # treat it here.
+ q_res_buffer = np.divide(q_res[0:-1],counts)
+ q_res_buffer = np.append(q_res_buffer, q_res_buffer[-1])
+ return q_res_buffer
+
+ def multiply_q_resolution_by_counts(q_res, counts):
+ # We are dividing DX by Y. Note that len(DX) = len(Y) + 1
+ # Unfortunately, we need some knowlege about the Q1D algorithm here.
+ # The two last entries of DX are duplicate in Q1D and this is how we
+ # treat it here.
+ q_res_buffer = np.multiply(q_res[0:-1],counts)
+ q_res_buffer = np.append(q_res_buffer, q_res_buffer[-1])
+ return q_res_buffer
+
+ if count_ws_rear.getNumberHistograms() != 1:
+ return
+
+ # We require both count workspaces to contain the DX value
+ if not count_ws_rear.hasDx(0) or not count_ws_front.hasDx(0):
+ return
+
+ q_resolution_front = count_ws_front.readDx(0)
+ q_resolution_rear = count_ws_rear.readDx(0)
+ counts_front = count_ws_front.readY(0)
+ counts_rear = count_ws_rear.readY(0)
+
+ # We need to make sure that the workspaces match in length
+ if ((len(q_resolution_front) != len(q_resolution_rear)) or
+ (len(counts_front) != len(counts_rear))):
+ return
+
+ # Get everything for the FRONT detector
+ q_res_front_norm_free = multiply_q_resolution_by_counts(q_resolution_front, counts_front)
+ q_res_front_norm_free = q_res_front_norm_free*scale
+ counts_front = counts_front*scale
+
+ # Get everything for the REAR detector
+ q_res_rear_norm_free = multiply_q_resolution_by_counts(q_resolution_rear, counts_rear)
+
+ # Now add and divide
+ new_q_res= np.add(q_res_front_norm_free, q_res_rear_norm_free)
+ new_counts = np.add(counts_front,counts_rear)
+ q_resolution = divide_q_resolution_by_counts(new_q_res,new_counts)
+
+ # Set the dx error
+ output_ws.setDx(0, q_resolution)
###############################################################################
######################### Start of Deprecated Code ############################
diff --git a/scripts/SANS/isis_instrument.py b/scripts/SANS/isis_instrument.py
index 7cbaff03481cbfafcb4b570dd99e3c7286527f70..c3f6a6862cdd81fed75c58f6cbec11aed52a10ec 100644
--- a/scripts/SANS/isis_instrument.py
+++ b/scripts/SANS/isis_instrument.py
@@ -763,6 +763,12 @@ class ISISInstrument(BaseInstrument):
self.set_up_for_run(run_num)
if self._newCalibrationWS:
+ # We are about to transfer the Instrument Parameter File from the
+ # calibration to the original workspace. We want to add new parameters
+ # which the calibration file has not yet picked up.
+ # IMPORTANT NOTE: This takes the parameter settings from the original workspace
+ # if they are old too, then we don't pick up newly added parameters
+ self._add_parmeters_absent_in_calibration(ws_name, self._newCalibrationWS)
self.changeCalibration(ws_name)
# centralize the bank to the centre
@@ -792,6 +798,64 @@ class ISISInstrument(BaseInstrument):
'''
return self.beam_centre_pos1_after_move, self.beam_centre_pos2_after_move
+ def _add_parmeters_absent_in_calibration(self, ws_name, calib_name):
+ '''
+ We load the instrument specific Instrument Parameter File (IPF) and check if
+ there are any settings which the calibration workspace does not have. The calibration workspace
+ has its own parameter map stored in the nexus file. This means that if we add new
+ entries to the IPF, then they are not being picked up. We do not want to change the existing
+ values, just add new entries.
+ @param ws_name: the name of the main workspace with the data
+ @param calibration_workspace: the name of the calibration workspace
+ '''
+ if calib_name == None or ws_name == None:
+ return
+ workspace = mtd[ws_name]
+ calibration_workspace = mtd[calib_name]
+
+ # 1.Iterate over all parameters in the original workspace
+ # 2. Compare with the calibration workspace
+ # 3. If it does not exist, then add it
+ original_parmeters = workspace.getInstrument().getParameterNames()
+ for param in original_parmeters:
+ if not calibration_workspace.getInstrument().hasParameter(param):
+ self._add_new_parameter_to_calibration(param, workspace, calibration_workspace)
+
+ def _add_new_parameter_to_calibration(self, param_name, workspace, calibration_workspace):
+ '''
+ Adds the missing value from the Instrument Parameter File (IPF) of the workspace to
+ the IPF of the calibration workspace. We check for the
+ 1. Type
+ 2. Value
+ 3. Name
+ 4. ComponentName (which is the instrument)
+ @param param_name: the name of the parameter to add
+ @param workspace: the donor of the parameter
+ @param calibration_workspace: the receiver of the parameter
+ '''
+ ws_instrument = workspace.getInstrument()
+ component_name = ws_instrument.getName()
+ ipf_type = ws_instrument.getParameterType(param_name)
+ # For now we only expect string, int and double
+ type_ids = ["string", "int", "double"]
+ value = None
+ type_to_save = "Number"
+ if ipf_type == type_ids[0]:
+ value = ws_instrument.getStringParameter(param_name)
+ type_to_save = "String"
+ elif ipf_type == type_ids[1]:
+ value = ws_instrument.getIntParameter(param_name)
+ elif ipf_type == type_ids[2]:
+ value = ws_instrument.getNumberParameter(param_name)
+ else:
+ raise RuntimeError("ISISInstrument: An Instrument Parameter File value of unknown type"
+ "is trying to be copied. Cannot handle this currently.")
+ SetInstrumentParameter(Workspace = calibration_workspace,
+ ComponentName = component_name,
+ ParameterName = param_name,
+ ParameterType = type_to_save,
+ Value = str(value[0]))
+
class LOQ(ISISInstrument):
"""
diff --git a/scripts/SANS/isis_reducer.py b/scripts/SANS/isis_reducer.py
index ad08212b01d0dff48e45ffae70d7deed7c818c28..ea848550a1331b41d2723989448780a9df7ca012 100644
--- a/scripts/SANS/isis_reducer.py
+++ b/scripts/SANS/isis_reducer.py
@@ -669,6 +669,30 @@ class ISISReducer(Reducer):
except:
#if the workspace can't be deleted this function does nothing
pass
+ def get_reduction_steps(self):
+ '''
+ Provides a way to access the reduction steps
+ @returns the reduction steps
+ '''
+ return self._reduction_steps
+
+ def perform_consistency_check(self):
+ '''
+ Runs the consistency check over all reduction steps
+ '''
+ was_empty = False
+ if not self._reduction_steps:
+ self._to_steps()
+ was_empty = True
+
+ try:
+ to_check = self._reduction_steps
+ for element in to_check:
+ element.run_consistency_check()
+ except RuntimeError, details:
+ if was_empty:
+ self._reduction_steps = None
+ raise RuntimeError(str(details))
def update_beam_center(self):
"""
diff --git a/scripts/SANS/isis_reduction_steps.py b/scripts/SANS/isis_reduction_steps.py
index fb7bd90f899a96141a3d26895628cecd71e70462..9244b651695459c796a47c17489a354cb79286ce 100644
--- a/scripts/SANS/isis_reduction_steps.py
+++ b/scripts/SANS/isis_reduction_steps.py
@@ -13,7 +13,7 @@ import math
import copy
import re
import traceback
-
+import math
from mantid.kernel import Logger
sanslog = Logger("SANS")
@@ -25,11 +25,18 @@ from SANSUtility import (GetInstrumentDetails, MaskByBinRange,
mask_detectors_with_masking_ws, check_child_ws_for_name_and_type_for_added_eventdata, extract_spectra,
extract_child_ws_for_added_eventdata, load_monitors_for_multiperiod_event_data,
MaskWithCylinder, get_masked_det_ids, get_masked_det_ids_from_mask_file, INCIDENT_MONITOR_TAG,
- can_load_as_event_workspace)
+ can_load_as_event_workspace, is_convertible_to_float,correct_q_resolution_for_can)
import isis_instrument
import isis_reducer
from reducer_singleton import ReductionStep
+
+DEBUG = False
+
+# A global name for the Q Resolution workspace which lives longer than a reducer core
+QRESOLUTION_WORKSPACE_NAME = "Q_Resolution_ISIS_SANS"
+QRESOLUTION_MODERATOR_WORKSPACE_NAME = "Q_Resolution_MODERATOR_ISIS_SANS"
+
def _issueWarning(msg):
"""
Prints a message to the log marked as warning
@@ -493,6 +500,8 @@ class CanSubtraction(ReductionStep):
#we now have the can workspace, use it
Minus(LHSWorkspace=tmp_smp,RHSWorkspace= tmp_can,OutputWorkspace= workspace)
+ # Correct the Q resolution entries in the output workspace
+ correct_q_resolution_for_can(mtd[tmp_smp], mtd[tmp_can], mtd[workspace])
#clean up the workspaces ready users to see them if required
if reducer.to_Q.output_type == '1D':
@@ -522,6 +531,17 @@ class CanSubtraction(ReductionStep):
periods_in_file = property(get_periods_in_file, None, None, None)
+ def _pass_dx_values_to_can_subtracted_if_required(self, original_ws, subtracted_ws):
+ '''
+ We pass the DX values from the original workspace to the subtracted workspace.
+ This means we currently do nothing with potential DX values in the can workspace.
+ Also that if there are DX values, then they are in all spectra
+ '''
+ if not original_ws.hasDx(0):
+ return
+ for index in range(0, original_ws.getNumHistograms()):
+ subtraced_ws.setDx(index, original_ws.dataDX(index))
+
class Mask_ISIS(ReductionStep):
"""
Marks some spectra so that they are not included in the analysis
@@ -749,7 +769,8 @@ class Mask_ISIS(ReductionStep):
self.arm_x=0.0
self.arm_y=0.0
else:
- _issueWarning('Unrecognized line masking command "' + details + '" syntax is MASK/LINE width angle or MASK/LINE width angle x y')
+ _issueWarning('Unrecognized line masking command "' + details +
+ '" syntax is MASK/LINE width angle or MASK/LINE width angle x y')
else:
_issueWarning('Unrecognized masking option "' + details + '"')
elif len(parts) == 3:
@@ -768,7 +789,9 @@ class Mask_ISIS(ReductionStep):
elif detname.upper() == 'REAR':
self.time_mask_r += ';' + bin_range
else:
- _issueWarning('Detector \'' + detname + '\' not found in currently selected instrument ' + self.instrument.name() + '. Skipping line.')
+ _issueWarning('Detector \'' + detname +
+ '\' not found in currently selected instrument ' +
+ self.instrument.name() + '. Skipping line.')
else:
_issueWarning('Unrecognized masking line "' + details + '"')
else:
@@ -780,7 +803,9 @@ class Mask_ISIS(ReductionStep):
elif detect.upper() == 'REAR':
self.spec_mask_r += ',' + mask_string
else:
- _issueWarning('Detector \'' + detect + '\' not found in currently selected instrument ' + self.instrument.name() + '. Skipping line.')
+ _issueWarning('Detector \'' + detect +
+ '\' not found in currently selected instrument ' +
+ self.instrument.name() + '. Skipping line.')
def _ConvertToSpecList(self, maskstring, detector):
'''
@@ -863,11 +888,16 @@ class Mask_ISIS(ReductionStep):
Purpose of this method is to populate self._lim_phi_xml
'''
# convert all angles to be between 0 and 360
- while phimax > 360 : phimax -= 360
- while phimax < 0 : phimax += 360
- while phimin > 360 : phimin -= 360
- while phimin < 0 : phimin += 360
- while phimax<phimin : phimax += 360
+ while phimax > 360 :
+ phimax -= 360
+ while phimax < 0 :
+ phimax += 360
+ while phimin > 360 :
+ phimin -= 360
+ while phimin < 0 :
+ phimin += 360
+ while phimax<phimin :
+ phimax += 360
#Convert to radians
phimin = math.pi*phimin/180.0
@@ -879,7 +909,8 @@ class Mask_ISIS(ReductionStep):
+ self._infinite_plane(id+'_plane2',centre, [-math.cos(-phimax + math.pi/2.0),-math.sin(-phimax + math.pi/2.0),0])
if use_mirror:
- self._lim_phi_xml += self._infinite_plane(id+'_plane3',centre, [math.cos(-phimax + math.pi/2.0),math.sin(-phimax + math.pi/2.0),0]) \
+ self._lim_phi_xml += self._infinite_plane(id+'_plane3',centre,
+ [math.cos(-phimax + math.pi/2.0),math.sin(-phimax + math.pi/2.0),0]) \
+ self._infinite_plane(id+'_plane4',centre, [-math.cos(-phimin + math.pi/2.0),-math.sin(-phimin + math.pi/2.0),0]) \
+ '<algebra val="#(('+id+'_plane1 '+id+'_plane2):('+id+'_plane3 '+id+'_plane4))" />'
else:
@@ -1842,6 +1873,18 @@ class ConvertToQISIS(ReductionStep):
self.w_cut = 0.0
# Whether to output parts when running either Q1D2 or Qxy
self.outputParts = False
+ # Flag if a QResolution workspace should be used
+ self.use_q_resolution = False
+ # QResolution settings
+ self._q_resolution_moderator_file_name = None
+ self._q_resolution_delta_r = None
+ self._q_resolution_a1 = None
+ self._q_resolution_a2 = None
+ self._q_resolution_h1 = None
+ self._q_resolution_w1 = None
+ self._q_resolution_h2 = None
+ self._q_resolution_w2 = None
+ self._q_resolution_collimation_length = None
def set_output_type(self, descript):
"""
@@ -1893,7 +1936,8 @@ class ConvertToQISIS(ReductionStep):
if (not self._grav_extra_length_set) or override:
self._grav_extra_length = extra_length
else:
- msg = "User file can't override previous extra length setting for gravity correction; extra length remains " + str(self._grav_extra_length)
+ msg = ("User file can't override previous extra length setting for" +
+ " gravity correction; extra length remains " + str(self._grav_extra_length))
print msg
sanslog.warning(msg)
@@ -1916,6 +1960,26 @@ class ConvertToQISIS(ReductionStep):
else:
raise RuntimeError('Normalization workspaces must be created by CalculateNorm() and passed to this step')
+ # Create the QResolution workspace, but only if it A) is requested by the user and does not exist
+ # B) is requested by the user, exists, but does not
+ # have the correct binning --> This is currently not implemented,
+ # but should be addressed in an optimization step
+ qResolution = self._get_q_resolution_workspace(det_bank_workspace = workspace)
+
+ # Debug output
+ if DEBUG:
+ sanslog.warning("###############################################")
+ sanslog.warning("File : %s" % str(self._q_resolution_moderator_file_name))
+ sanslog.warning("A1 : %s" % str(self._q_resolution_a1))
+ sanslog.warning("A2 : %s" % str(self._q_resolution_a2))
+ sanslog.warning("H1 : %s" % str(self._q_resolution_h1))
+ sanslog.warning("H2 : %s" % str(self._q_resolution_h1))
+ sanslog.warning("W1 : %s" % str(self._q_resolution_w1))
+ sanslog.warning("W2 : %s" % str(self._q_resolution_w2))
+ sanslog.warning("LCol: %s" % str(self._q_resolution_collimation_length))
+ sanslog.warning("DR : %s" % str(self._q_resolution_delta_r))
+ sanslog.warning("Exists: %s" % str(qResolution != None))
+
try:
if self._Q_alg == 'Q1D':
Q1D(DetBankWorkspace=workspace,
@@ -1928,7 +1992,8 @@ class ConvertToQISIS(ReductionStep):
WaveCut=self.w_cut,
OutputParts=self.outputParts,
WavePixelAdj = wavepixeladj,
- ExtraLength=self._grav_extra_length)
+ ExtraLength=self._grav_extra_length,
+ QResolution=qResolution)
elif self._Q_alg == 'Qxy':
Qxy(InputWorkspace=workspace,
OutputWorkspace= workspace,
@@ -1953,6 +2018,230 @@ class ConvertToQISIS(ReductionStep):
reducer.deleteWorkspaces([wave_adj, pixel_adj, wavepixeladj])
+ def _get_q_resolution_workspace(self, det_bank_workspace):
+ '''
+ Calculates the QResolution workspace if this is required
+ @param det_bank_workspace: the main worspace which is being reduced
+ @returns the QResolution workspace or None
+ '''
+ # Check if the a calculation is asked for by the user
+ if self.use_q_resolution == False:
+ return None
+
+ # Make sure that all parameters that are needed are available
+ self._set_up_q_resolution_parameters()
+
+ # Run a consistency check
+ try:
+ self.run_consistency_check()
+ except RuntimeError, details:
+ sanslog.warning("ConverToQISIS: There was something wrong with the Q Resolution"
+ " settings. Running the reduction without the Q Resolution"
+ " Setting. See details %s" % str(details))
+ return None
+
+ # Check if Q Resolution exists in mtd
+ exists = mtd.doesExist(QRESOLUTION_WORKSPACE_NAME)
+
+ # Future improvement here: If the binning has not changed and the instrument is
+ # the same then we can reuse the existing QResolution workspace if it exists
+ if exists:
+ #return self._get_existing_q_resolution(det_bank_workspace)
+ return self._create_q_resolution(det_bank_workspace = det_bank_workspace)
+ else:
+ return self._create_q_resolution(det_bank_workspace = det_bank_workspace)
+
+ def _create_q_resolution(self, det_bank_workspace):
+ '''
+ Creates the Q Resolution workspace
+ @returns the q resolution workspace
+ '''
+ sigma_moderator = self._get_sigma_moderator_workspace()
+
+ # We need the radius, not the diameter in the TOFSANSResolutionByPixel algorithm
+ sample_radius = 0.5*self.get_q_resolution_a2()
+ source_radius = 0.5*self.get_q_resolution_a1()
+
+ # The radii and the deltaR are expected to be in mm
+ TOFSANSResolutionByPixel(InputWorkspace = det_bank_workspace,
+ OutputWorkspace = QRESOLUTION_WORKSPACE_NAME,
+ DeltaR = self.get_q_resolution_delta_r()*1000.,
+ SampleApertureRadius = sample_radius*1000.,
+ SourceApertureRadius = source_radius*1000.,
+ SigmaModerator = sigma_moderator,
+ CollimationLength = self.get_q_resolution_collimation_length(),
+ AccountForGravity=self._use_gravity,
+ ExtraLength=self._grav_extra_length)
+
+ if not mtd.doesExist(QRESOLUTION_WORKSPACE_NAME):
+ raise RuntimeError("ConvertTpQIsis: Could not create the q resolution workspace")
+
+ DeleteWorkspace(sigma_moderator)
+ return mtd[QRESOLUTION_WORKSPACE_NAME]
+
+ def _get_sigma_moderator_workspace(self):
+ '''
+ Gets the sigma moderator workspace.
+ @returns the sigma moderator workspace
+ '''
+ moderator_ws = Load(Filename = self.get_q_resolution_moderator())
+ moderator_histogram_ws = ConvertToHistogram(InputWorkspace = moderator_ws)
+ moderator_wavelength_ws = ConvertUnits(InputWorkspace=moderator_histogram_ws,Target="Wavelength")
+
+ DeleteWorkspace(moderator_ws)
+ DeleteWorkspace(moderator_histogram_ws)
+ return moderator_wavelength_ws
+
+ def _get_existing_q_resolution(self, det_bank_workspace):
+ '''
+ If the existing Q Resolution workspace has the correct binning,
+ then we use it, else we have to create it
+ @det_bank_workspace: the main workspace
+ '''
+ if self._has_matching_binning(det_bank_workspace):
+ return mtd[QRESOLUTION_WORKSPACE_NAME]
+ else:
+ return self._create_q_resolution(det_bank_workspace = det_bank_workspace)
+
+ def _has_matching_binning(self, det_bank_workspace):
+ '''
+ Check if the binning of the q resolution workspace
+ and the main workspace do not match
+ @det_bank_workspace: the main workspace
+ '''
+ # Here we need to check if the binning has changed, ie if the
+ # existing
+ dummy_ws = det_bank_workspace
+ raise RuntimeError("The QResolution optimization has not been implemented yet")
+
+ def set_q_resolution_moderator(self, file_name):
+ '''
+ Sets the moderator file name for Q Resolution
+ @param file_name: the name of the moderator file
+ '''
+ try:
+ q_res_file_path, dummy_suggested_name = getFileAndName(file_name)
+ except:
+ raise RuntimeError("Invalid input for mask file. (%s)" % str(file_name))
+ q_res_file_path = q_res_file_path.replace("\\", "/")
+ self._q_resolution_moderator_file_name = q_res_file_path
+
+ def get_q_resolution_moderator(self):
+ return self._q_resolution_moderator_file_name
+
+ def set_q_resolution_a1(self, a1):
+ self._q_resolution_a1 = a1
+
+ def get_q_resolution_a1(self):
+ return self._q_resolution_a1
+
+ def set_q_resolution_a2(self, a2):
+ self._q_resolution_a2 = a2
+
+ def get_q_resolution_a2(self):
+ return self._q_resolution_a2
+
+ def set_q_resolution_delta_r(self, delta_r):
+ self._q_resolution_delta_r = delta_r
+
+ def get_q_resolution_delta_r(self):
+ return self._q_resolution_delta_r
+
+ def set_q_resolution_h1(self, h1):
+ self._q_resolution_h1 = h1
+
+ def get_q_resolution_h1(self):
+ return self._q_resolution_h1
+
+ def set_q_resolution_h2(self, h2):
+ self._q_resolution_h2 = h2
+
+ def get_q_resolution_h2(self):
+ return self._q_resolution_h2
+
+ def set_q_resolution_w1(self, w1):
+ self._q_resolution_w1 = w1
+
+ def get_q_resolution_w1(self):
+ return self._q_resolution_w1
+
+ def set_q_resolution_w2(self, w2):
+ self._q_resolution_w2 = w2
+
+ def get_q_resolution_w2(self):
+ return self._q_resolution_w2
+
+ def set_q_resolution_collimation_length(self, collimation_length):
+ self._q_resolution_collimation_length = collimation_length
+
+ def get_q_resolution_collimation_length(self):
+ return self._q_resolution_collimation_length
+
+ def set_use_q_resolution(self, enabled):
+ self.use_q_resolution = enabled
+
+ def get_use_q_resolution(self):
+ return self.use_q_resolution
+
+ def run_consistency_check(self):
+ '''
+ Provides the consistency check for the ConvertTOQISIS
+ '''
+ # Make sure that everythign for the QResolution calculation is setup correctly
+ if self.use_q_resolution:
+ self._check_q_settings_complete()
+
+ def _check_q_settings_complete(self):
+ '''
+ Check that the q resolution settings are complete.
+ We need a moderator file path. And the other settings have to be self consistent
+ '''
+ try:
+ dummy_file_path, dummy_suggested_name = getFileAndName(self._q_resolution_moderator_file_name)
+ except:
+ raise RuntimeError("The specified moderator file is not valid. Please make sure that that it exists in your search directory.")
+
+ # If A1 is set, then A2 should be set and vice versa
+ if ((self.get_q_resolution_a1() is None and self.get_q_resolution_a2() is not None) or
+ (self.get_q_resolution_a2() is None and self.get_q_resolution_a1() is not None)):
+ raise RuntimeError("Both, A1 and A2, need to be specified.")
+
+ def _set_up_q_resolution_parameters(self):
+ '''
+ Prepare the parameters which need preparing
+ '''
+ # If we have values for H1 and W1 then set A1 to the correct value
+ if self._q_resolution_h1 and self._q_resolution_w1 and self._q_resolution_h2 and self._q_resolution_w2:
+ self._q_resolution_a1 = self._set_up_diameter(self._q_resolution_h1, self._q_resolution_w1)
+ self._q_resolution_a2 = self._set_up_diameter(self._q_resolution_h2, self._q_resolution_w2)
+
+
+ def _set_up_diameter(self, h, w):
+ '''
+ Prepare the diameter parameter. If there are corresponding H and W values, then
+ use them instead. Richard provided the formula: A = 2*sqrt((H^2 + W^2)/6)
+ @param h: the height
+ @param w: the width
+ @returns the new diameter
+ '''
+ return 2*math.sqrt((h*h + w*w)/6)
+
+ def reset_q_settings(self):
+ '''
+ Reset of the q resolution settings
+ '''
+ self.use_q_resolution = False
+ self._q_resolution_moderator_file_name = None
+ self._q_resolution_delta_r = None
+ self._q_resolution_a1 = None
+ self._q_resolution_a2 = None
+ self._q_resolution_h1 = None
+ self._q_resolution_w1 = None
+ self._q_resolution_h2 = None
+ self._q_resolution_w2 = None
+ self._q_resolution_collimation_length = None
+
+
class UnitsConvert(ReductionStep):
"""
Executes ConvertUnits and then Rebin on the same workspace. If no re-bin limits are
@@ -2134,7 +2423,8 @@ class UserFile(ReductionStep):
'TRANS/': self._read_trans_line,
'MON/' : self._read_mon_line,
'TUBECALIBFILE': self._read_calibfile_line,
- 'MASKFILE': self._read_maskfile_line}
+ 'MASKFILE': self._read_maskfile_line,
+ 'QRESOL/': self._read_q_resolution_line}
def __deepcopy__(self, memo):
"""Called when a deep copy is requested
@@ -2147,7 +2437,8 @@ class UserFile(ReductionStep):
'TRANS/': fresh._read_trans_line,
'MON/' : fresh._read_mon_line,
'TUBECALIBFILE': self._read_calibfile_line,
- 'MASKFILE': self._read_maskfile_line
+ 'MASKFILE': self._read_maskfile_line,
+ 'QRESOL/': self._read_q_resolution_line
}
return fresh
@@ -2182,6 +2473,9 @@ class UserFile(ReductionStep):
# Check if one of the efficency files hasn't been set and assume the other is to be used
reducer.instrument.copy_correction_files()
+ # Run a consistency check
+ reducer.perform_consistency_check()
+
self.executed = True
return self.executed
@@ -2786,6 +3080,77 @@ class UserFile(ReductionStep):
reducer.transmission_calculator.calculated_can = arguments[1]
+ def _read_q_resolution_line(self, arguments, reducer):
+ '''
+ Parses the input for QResolution
+ @param arguments: the arguments of a QResolution line
+ @param reducer: a reducer object
+ '''
+ arguments = arguments.upper()
+ if arguments.find('=') == -1:
+ return self._read_q_resolution_line_on_off(arguments, reducer)
+
+ # Split and remove the white spaces
+ arguments = arguments.split('=')
+ arguments = [element.strip() for element in arguments]
+
+ # Check if it is the moderator file name, if so add it and return
+ if arguments[0].startswith('MODERATOR'):
+ try:
+ reducer.to_Q.set_q_resolution_moderator(file_name = arguments[1])
+ except:
+ sanslog.error("The specified moderator file could not be found. Please specify a file which exists in the search directories.")
+ return
+
+ # All arguments need to be convertible to a float
+ if not is_convertible_to_float(arguments[1]):
+ return 'Value not a float in line: '
+
+ # Now check for the actual key
+ if arguments[0].startswith('DELTAR'):
+ reducer.to_Q.set_q_resolution_delta_r(delta_r= float(arguments[1])/1000.)
+ elif arguments[0].startswith('A1'):
+ # Input is in mm but we need m later on
+ reducer.to_Q.set_q_resolution_a1(a1 = float(arguments[1])/1000.)
+ elif arguments[0].startswith('A2'):
+ # Input is in mm but we need m later on
+ reducer.to_Q.set_q_resolution_a2(a2 = float(arguments[1])/1000.)
+ elif arguments[0].startswith('LCOLLIM'):
+ # Input is in m and we need it to be in m later on
+ reducer.to_Q.set_q_resolution_collimation_length(collimation_length = float(arguments[1]))
+ elif arguments[0].startswith('H1'):
+ # Input is in mm but we need m later on
+ reducer.to_Q.set_q_resolution_h1(h1 = float(arguments[1])/1000.)
+ elif arguments[0].startswith('W1'):
+ # Input is in mm but we need m later on
+ reducer.to_Q.set_q_resolution_w1(w1 = float(arguments[1])/1000.)
+ elif arguments[0].startswith('H2'):
+ # Input is in mm but we need m later on
+ reducer.to_Q.set_q_resolution_h2(h2 = float(arguments[1])/1000.)
+ elif arguments[0].startswith('W2'):
+ # Input is in mm but we need m later on
+ reducer.to_Q.set_q_resolution_w2(w2 = float(arguments[1])/1000.)
+ else:
+ return 'Unrecognised line: '
+
+ def _read_q_resolution_line_on_off(self, arguments, reducer):
+ '''
+ Handles the ON/OFF setting for QResolution
+ @param arguements: the line arguments
+ @param reducer: a reducer object
+ '''
+ # Remove white space
+ on_off = "".join(arguments.split())
+
+ # We expect only ON or OFF
+ if on_off == "ON":
+ reducer.to_Q.set_use_q_resolution(enabled = True)
+ elif on_off == "OFF":
+ reducer.to_Q.set_use_q_resolution(enabled = False)
+ else:
+ return 'Unrecognised line: '
+
+
def _check_instrument(self, inst_name, reducer):
if reducer.instrument is None:
raise RuntimeError('Use SANS2D() or LOQ() to set the instrument before Maskfile()')
diff --git a/scripts/reducer_singleton.py b/scripts/reducer_singleton.py
index 5b2a860adff42c677007b20699a4fedc27a6897f..94ba12194cd1260f6aaf9d33578ee8d02e455ef7 100644
--- a/scripts/reducer_singleton.py
+++ b/scripts/reducer_singleton.py
@@ -37,6 +37,13 @@ class ReductionStep(object):
"""
raise NotImplementedError
+ def run_consistency_check(self):
+ '''
+ Run a consistency check of the settings of the ReuctionStep
+ '''
+ return
+
+
class Reducer(object):
"""
Base reducer class. Instrument-specific reduction processes should be
@@ -156,9 +163,6 @@ class Reducer(object):
f.close()
return self.log_text
-
-
-
class ReductionSingleton(object):
""" Singleton reduction class """
diff --git a/scripts/test/SANSCommandInterfaceTest.py b/scripts/test/SANSCommandInterfaceTest.py
index fe0c9ea2ac70e5e413a98a1a80d4d5d8e549d3e9..859194caf9f0bce30df577a4c9e69afada66db03 100644
--- a/scripts/test/SANSCommandInterfaceTest.py
+++ b/scripts/test/SANSCommandInterfaceTest.py
@@ -7,7 +7,7 @@ import isis_reduction_steps as reduction_steps
from mantid.simpleapi import *
from mantid.kernel import DateAndTime
import random
-
+import math
class SANSCommandInterfaceGetAndSetTransmissionSettings(unittest.TestCase):
def test_that_gets_transmission_monitor(self):
# Arrange
@@ -256,5 +256,136 @@ class TestFitRescaleAndShift(unittest.TestCase):
DeleteWorkspace(ws2)
+
+class SANSCommandInterfaceGetAndSetQResolutionSettings(unittest.TestCase):
+ '''
+ Test the input and output mechanims for the QResolution settings
+ '''
+ def test_full_setup_for_circular_apertures(self):
+ # Arrange
+ command_iface.Clean()
+ command_iface.SANS2D()
+ a1 = 2 # in mm
+ a2 = 3 # in mm
+ delta_r = 4 # in mm
+ collimation_length = 10 # in m
+ norm = reduction_steps.CalculateNormISIS()
+ ReductionSingleton().to_Q = reduction_steps.ConvertToQISIS(norm)
+
+ # Act
+ command_iface.set_q_resolution_a1(a1 = a1)
+ command_iface.set_q_resolution_a2(a2 = a2)
+ command_iface.set_q_resolution_delta_r(delta_r = delta_r)
+ command_iface.set_q_resolution_collimation_length(collimation_length = collimation_length)
+ command_iface.set_q_resolution_use(use = True)
+ ReductionSingleton().to_Q._set_up_q_resolution_parameters()
+
+ # Assert
+ a1_stored = ReductionSingleton().to_Q.get_q_resolution_a1() # in m
+ a1_expected = a1/1000.
+ self.assertEqual(a1_stored, a1_expected)
+
+ a2_stored = ReductionSingleton().to_Q.get_q_resolution_a2() # in m
+ a2_expected = a2/1000.
+ self.assertEqual(a2_stored, a2_expected)
+
+ collimation_length_stored = ReductionSingleton().to_Q.get_q_resolution_collimation_length() # in m
+ collimation_length_expected = collimation_length
+ self.assertEqual(collimation_length_stored, collimation_length_expected)
+
+ delta_r_stored = ReductionSingleton().to_Q.get_q_resolution_delta_r() # in m
+ delta_r_expected = delta_r/1000.
+ self.assertEqual(delta_r_stored, delta_r_expected)
+
+ def test_full_setup_for_rectangular_apertures(self):
+ # Arrange
+ command_iface.Clean()
+ command_iface.SANS2D()
+ a1 = 2 # in mm
+ a2 = 3 # in mm
+ delta_r = 4 # in mm
+ collimation_length = 10 # in m
+ h1 = 9 # in mm
+ w1 = 8 # in mm
+ h2 = 7 # in mm
+ w2 = 5 # in mm
+ norm = reduction_steps.CalculateNormISIS()
+ ReductionSingleton().to_Q = reduction_steps.ConvertToQISIS(norm)
+
+ # Act
+ command_iface.set_q_resolution_a1(a1 = a1)
+ command_iface.set_q_resolution_a2(a2 = a2)
+ command_iface.set_q_resolution_delta_r(delta_r = delta_r)
+ command_iface.set_q_resolution_h1(h1 = h1)
+ command_iface.set_q_resolution_w1(w1 = w1)
+ command_iface.set_q_resolution_h2(h2 = h2)
+ command_iface.set_q_resolution_w2(w2 = w2)
+ command_iface.set_q_resolution_collimation_length(collimation_length = collimation_length)
+ command_iface.set_q_resolution_use(use = True)
+ ReductionSingleton().to_Q._set_up_q_resolution_parameters()
+
+ # Assert
+ a1_stored = ReductionSingleton().to_Q.get_q_resolution_a1() # in m
+ a1_expected = 2*math.sqrt((h1/1000.*h1/1000. + w1/1000.*w1/1000.)/6)
+ self.assertEqual(a1_stored, a1_expected)
+
+ a2_stored = ReductionSingleton().to_Q.get_q_resolution_a2() # in m
+ a2_expected = 2*math.sqrt((h2/1000.*h2/1000. + w2/1000.*w2/1000.)/6)
+ self.assertEqual(a2_stored, a2_expected)
+
+ collimation_length_stored = ReductionSingleton().to_Q.get_q_resolution_collimation_length() # in m
+ collimation_length_expected = collimation_length
+ self.assertEqual(collimation_length_stored, collimation_length_expected)
+
+ delta_r_stored = ReductionSingleton().to_Q.get_q_resolution_delta_r() # in m
+ delta_r_expected = delta_r/1000.
+ self.assertEqual(delta_r_stored, delta_r_expected)
+
+
+ def test_full_setup_for_rectangular_apertures_which_are_only_partially_specified(self):
+ # Arrange
+ command_iface.Clean()
+ command_iface.SANS2D()
+ a1 = 2 # in mm
+ a2 = 3 # in mm
+ delta_r = 4 # in mm
+ collimation_length = 10 # in m
+ h1 = 9 # in mm
+ w1 = 8 # in mm
+ h2 = 7 # in mm
+ # We take out w2, hence we don't have a full rectangular spec
+ norm = reduction_steps.CalculateNormISIS()
+ ReductionSingleton().to_Q = reduction_steps.ConvertToQISIS(norm)
+
+ # Act
+ command_iface.set_q_resolution_a1(a1 = a1)
+ command_iface.set_q_resolution_a2(a2 = a2)
+ command_iface.set_q_resolution_delta_r(delta_r = delta_r)
+ command_iface.set_q_resolution_h1(h1 = h1)
+ command_iface.set_q_resolution_w1(w1 = w1)
+ command_iface.set_q_resolution_h2(h2 = h2)
+
+ command_iface.set_q_resolution_collimation_length(collimation_length = collimation_length)
+ command_iface.set_q_resolution_use(use = True)
+ ReductionSingleton().to_Q._set_up_q_resolution_parameters()
+
+ # Assert
+ a1_stored = ReductionSingleton().to_Q.get_q_resolution_a1() # in m
+ a1_expected = a1/1000.
+ self.assertEqual(a1_stored, a1_expected)
+
+ a2_stored = ReductionSingleton().to_Q.get_q_resolution_a2() # in m
+ a2_expected = a2/1000.
+ self.assertEqual(a2_stored, a2_expected)
+
+ collimation_length_stored = ReductionSingleton().to_Q.get_q_resolution_collimation_length() # in m
+ collimation_length_expected = collimation_length
+ self.assertEqual(collimation_length_stored, collimation_length_expected)
+
+ delta_r_stored = ReductionSingleton().to_Q.get_q_resolution_delta_r() # in m
+ delta_r_expected = delta_r/1000.
+ self.assertEqual(delta_r_stored, delta_r_expected)
+
+
if __name__ == "__main__":
unittest.main()
diff --git a/scripts/test/SANSIsisInstrumentTest.py b/scripts/test/SANSIsisInstrumentTest.py
index e3570bbce18d2d06137ffb477c62452152f92507..62c7f9cb1fd96537476f9453faa490e70318a8ad 100644
--- a/scripts/test/SANSIsisInstrumentTest.py
+++ b/scripts/test/SANSIsisInstrumentTest.py
@@ -1,5 +1,6 @@
import unittest
import mantid
+from mantid.simpleapi import *
import isis_instrument as instruments
@@ -33,5 +34,53 @@ class SANSIsisInstrumentTest(unittest.TestCase):
self.assertEqual(None, start_Tof)
self.assertEqual(None, end_Tof)
+class TestParameterMapModifications(unittest.TestCase):
+ def create_sample_workspace(self, ws_name, types, values, names):
+ ws = CreateSampleWorkspace(OutputWorkspace = ws_name)
+ length = len(types)
+ if any(len(element) != length for element in [types, values, names]):
+ return
+ for i in range(0, length):
+ SetInstrumentParameter(ws, ParameterName=names[i],
+ ParameterType= types[i],
+ Value = values[i])
+
+ def test_that_calibration_workspace_has_absent_entries_copied_over(self):
+ # Arrange
+ ws_name1 = "ws1"
+ types1 = ["Number", "String", "Number"]
+ values1 = ["100.4", "test", "200"]
+ names1 = ["val1", "val2", "val3"]
+ self.create_sample_workspace(ws_name1, types1, values1, names1)
+
+ ws_name2 = "ws2"
+ types2 = ["Number", "String", "Number"]
+ values2 = ["2.4", "test3", "3"]
+ names2 = ["val1", "val2", "val4"]
+ self.create_sample_workspace(ws_name2, types2, values2, names2)
+
+ inst = instruments.SANS2D()
+
+ # Act
+ inst._add_parmeters_absent_in_calibration(ws_name1, ws_name2)
+
+ # Assert
+ ws2 = mtd[ws_name2]
+ self.assertTrue(ws2.getInstrument().hasParameter("val1"))
+ self.assertTrue(ws2.getInstrument().hasParameter("val2"))
+ self.assertTrue(ws2.getInstrument().hasParameter("val3"))
+ self.assertTrue(ws2.getInstrument().hasParameter("val4"))
+
+ self.assertTrue(len(ws2.getInstrument().getNumberParameter("val1"))== 1)
+ self.assertTrue(ws2.getInstrument().getNumberParameter("val1")[0] == 2.4)
+
+ self.assertTrue(len(ws2.getInstrument().getIntParameter("val3"))== 1)
+ self.assertTrue(ws2.getInstrument().getIntParameter("val3")[0] == 200)
+
+ # Clean up
+ DeleteWorkspace(ws_name1)
+ DeleteWorkspace(ws_name2)
+
+
if __name__ == "__main__":
unittest.main()
diff --git a/scripts/test/SANSReductionStepsUserFileTest.py b/scripts/test/SANSReductionStepsUserFileTest.py
index 32fcf7892be0b91dfa1b55c6bf5194f1d760e4f2..d06952672db11d8ca3569444b84667427d60258c 100644
--- a/scripts/test/SANSReductionStepsUserFileTest.py
+++ b/scripts/test/SANSReductionStepsUserFileTest.py
@@ -40,5 +40,101 @@ class SANSReductionStepsUserFileTest(unittest.TestCase):
self.assertEqual(None, start_TOF_ROI, 'The start time should not have been set')
self.assertEqual(None, end_TOF_ROI, 'The end time should not have been set')
+
+
+class MockConvertTOQISISQResolution(object):
+ def __init__(self):
+ super(MockConvertTOQISISQResolution, self).__init__()
+
+ self.delta_r = None
+ self.a1 = None
+ self.a2 = None
+ self.w1 = None
+ self.h1 = None
+ self.w2 = None
+ self.h2 = None
+ self.collim = None
+ self.on_off = None
+
+ def set_q_resolution_delta_r(self, delta_r):
+ self.delta_r = delta_r
+
+ def set_q_resolution_a1(self, a1):
+ self.a1 = a1
+
+ def set_q_resolution_a2(self, a2):
+ self.a2 = a2
+
+ def set_q_resolution_collimation_length(self, collimation_length):
+ self.collim = collimation_length
+
+ def set_q_resolution_h1(self, h1):
+ self.h1 = h1
+
+ def set_q_resolution_h2(self, h2):
+ self.h2 = h2
+
+ def set_q_resolution_w1(self, w1):
+ self.w1 = w1
+
+ def set_q_resolution_w2(self, w2):
+ self.w2 = w2
+
+ def set_use_q_resolution(self, enabled):
+ self.on_off = enabled
+
+class MockReducerQResolution(object):
+ def __init__(self):
+ super(MockReducerQResolution, self).__init__()
+ self.to_Q = MockConvertTOQISISQResolution()
+
+class TestQResolutionInUserFile(unittest.TestCase):
+ def test_that_good_input_is_accepted(self):
+ # Arrange
+ reducer = MockReducerQResolution()
+ user_file = reduction_steps.UserFile()
+
+ a1_val = 1
+ a2_val = 2
+ h1_val = 3
+ w1_val = 4
+ h2_val = 5
+ w2_val = 6
+ lcollim_val = 7
+ delta_r_val = 8
+ on_off_val = True
+ values = ["QRESOL/A1=" + str(a1_val), "QRESOL/A2 =" + str(a2_val), "QRESOL/H1 =" + str(h1_val),
+ "QRESOL/W1 =" + str(w1_val), "QRESOL/H2=" + str(h2_val), "QRESOL/W2= " + str(w2_val),
+ "QRESOL/LCOLLIM= " + str(lcollim_val),"QRESOL/LCOLLIM= " + str(lcollim_val),
+ "QRESOL/DELTAR= " + str(delta_r_val),"QRESOL/ ON"]
+
+ # Act
+ for value in values:
+ user_file.read_line(value, reducer)
+
+ # Assert
+ self.assertEqual(reducer.to_Q.a1,a1_val/1000., "Should be the input in meters")
+ self.assertEqual(reducer.to_Q.a2,a2_val/1000., "Should be the input in meters")
+ self.assertEqual(reducer.to_Q.h1,h1_val/1000., "Should be the input in meters")
+ self.assertEqual(reducer.to_Q.h2,h2_val/1000., "Should be the input in meters")
+ self.assertEqual(reducer.to_Q.w1,w1_val/1000., "Should be the input in meters")
+ self.assertEqual(reducer.to_Q.w2,w2_val/1000., "Should be the input in meters")
+ self.assertEqual(reducer.to_Q.delta_r,delta_r_val/1000., "Should be the input in meters")
+ self.assertEqual(reducer.to_Q.collim,lcollim_val, "Should be the input in meters")
+ self.assertEqual(reducer.to_Q.on_off,on_off_val, "Should be set to True")
+
+ def test_that_non_float_type_for_a1_causes_error_warning(self):
+ # Arrange
+ reducer = MockReducerQResolution()
+ user_file = reduction_steps.UserFile()
+ a1_val = "sdf"
+ value = "A1=" + str(a1_val)
+ # Act
+ error = user_file._read_q_resolution_line(value, reducer)
+ # Assert
+ self.assertTrue(error != None)
+
+
+
if __name__ == "__main__":
unittest.main()
diff --git a/scripts/test/SANSUtilityTest.py b/scripts/test/SANSUtilityTest.py
index 1fbad1df28e69622f4fea9f1f1a2123b1eca825b..4a301439f6ce04f5f8a0a457822b580fd6e09013 100644
--- a/scripts/test/SANSUtilityTest.py
+++ b/scripts/test/SANSUtilityTest.py
@@ -70,6 +70,33 @@ def provide_histo_workspace_with_one_spectrum(ws_name, x_start, x_end, bin_width
BinWidth = bin_width)
+def provide_workspace_with_x_errors(workspace_name,use_xerror = True, nspec = 1,
+ x_in = [1,2,3,4,5,6,7,8,9,10],
+ y_in = [2,2,2,2,2,2,2,2,2],
+ e_in = [1,1,1,1,1,1,1,1,1],
+ x_error = [1.1,2.2,3.3,4.4,5.5,6.6,7.7,8.8,9.9, 10.1]):
+ x = []
+ y = []
+ e = []
+ for item in range(0, nspec):
+ x = x + x_in
+ y = y + y_in
+ e = e + e_in
+
+ CreateWorkspace(DataX = x,
+ DataY =y,
+ DataE = e,
+ NSpec = nspec,
+ UnitX = "MomentumTransfer",
+ OutputWorkspace = workspace_name)
+ if use_xerror:
+ ws = mtd[workspace_name]
+ for hists in range(0, nspec):
+ x_error_array = np.asarray(x_error)
+ ws.setDx(hists, x_error_array)
+
+
+
# This test does not pass and was not used before 1/4/2015. SansUtilitytests was disabled.
class SANSUtilityTest(unittest.TestCase):
@@ -986,5 +1013,161 @@ class TestErrorPropagationFitAndRescale(unittest.TestCase):
DeleteWorkspace(rear)
+class TestGetCorrectQResolution(unittest.TestCase):
+ def test_error_is_passed_from_original_to_subtracted_workspace(self):
+ # Arrange
+ orig_name = "orig"
+ can_name = "can"
+ result_name = "result"
+ provide_workspace_with_x_errors(orig_name, True)
+ provide_workspace_with_x_errors(can_name, True)
+ provide_workspace_with_x_errors(result_name, False)
+ orig = mtd[orig_name]
+ can = mtd[can_name]
+ result = mtd[result_name]
+ # Act
+ su.correct_q_resolution_for_can(orig, can, result)
+ # Assert
+ dx_orig = orig.dataDx(0)
+ dx_result = result.dataDx(0)
+ self.assertTrue(result.hasDx(0))
+ for index in range(0, len(dx_orig)):
+ self.assertEqual(dx_orig[index], dx_result[index])
+ # Clean up
+ DeleteWorkspace(orig)
+ DeleteWorkspace(can)
+ DeleteWorkspace(result)
+
+ def test_error_is_ignored_for_more_than_one_spectrum(self):
+ # Arrange
+ orig_name = "orig"
+ can_name = "can"
+ result_name = "result"
+ provide_workspace_with_x_errors(orig_name, True, 2)
+ provide_workspace_with_x_errors(can_name, True, 2)
+ provide_workspace_with_x_errors(result_name, False, 2)
+ orig = mtd[orig_name]
+ can = mtd[can_name]
+ result = mtd[result_name]
+ # Act
+ su.correct_q_resolution_for_can(orig, can, result)
+ # Assert
+ self.assertFalse(result.hasDx(0))
+ # Clean up
+ DeleteWorkspace(orig)
+ DeleteWorkspace(can)
+ DeleteWorkspace(result)
+
+
+class TestGetQResolutionForMergedWorkspaces(unittest.TestCase):
+ def test_error_is_ignored_for_more_than_one_spectrum(self):
+ # Arrange
+ front_name = "front"
+ rear_name = "rear"
+ result_name = "result"
+ provide_workspace_with_x_errors(front_name, True, 2)
+ provide_workspace_with_x_errors(rear_name, True, 2)
+ provide_workspace_with_x_errors(result_name, False, 2)
+ front = mtd[front_name]
+ rear = mtd[rear_name]
+ result = mtd[result_name]
+ scale = 2.
+ # Act
+ su.correct_q_resolution_for_merged(front, rear,result, scale)
+ # Assert
+ self.assertFalse(result.hasDx(0))
+ # Clean up
+ DeleteWorkspace(front)
+ DeleteWorkspace(rear)
+ DeleteWorkspace(result)
+
+ def test_error_is_ignored_when_only_one_input_has_dx(self):
+ # Arrange
+ front_name = "front"
+ rear_name = "rear"
+ result_name = "result"
+ provide_workspace_with_x_errors(front_name, True, 1)
+ provide_workspace_with_x_errors(rear_name, False, 1)
+ provide_workspace_with_x_errors(result_name, False, 1)
+ front = mtd[front_name]
+ rear = mtd[rear_name]
+ result = mtd[result_name]
+ scale = 2.
+ # Act
+ su.correct_q_resolution_for_merged(front, rear,result, scale)
+ # Assert
+ self.assertFalse(result.hasDx(0))
+ # Clean up
+ DeleteWorkspace(front)
+ DeleteWorkspace(rear)
+ DeleteWorkspace(result)
+
+ def test_that_non_matching_workspaces_are_detected(self):
+ # Arrange
+ front_name = "front"
+ rear_name = "rear"
+ result_name = "result"
+ x1 = [1,2,3]
+ e1 = [1,1]
+ y1 = [2,2]
+ dx1 = [1.,2.,3.]
+ x2 = [1,2,3,4]
+ e2 = [1,1, 1]
+ y2 = [2,2, 2]
+ dx2 = [1.,2.,3.,4.]
+ provide_workspace_with_x_errors(front_name, True, 1, x1, y1, e1, dx1)
+ provide_workspace_with_x_errors(rear_name, True, 1, x2, y2, e2, dx2)
+ provide_workspace_with_x_errors(result_name, False, 1)
+ front = mtd[front_name]
+ rear = mtd[rear_name]
+ result = mtd[result_name]
+ scale = 2.
+ # Act
+ su.correct_q_resolution_for_merged(front, rear,result, scale)
+ # Assert
+ self.assertFalse(result.hasDx(0))
+ # Clean up
+ DeleteWorkspace(front)
+ DeleteWorkspace(rear)
+ DeleteWorkspace(result)
+
+ def test_correct_x_error_is_produced(self):
+ # Arrange
+ x = [1,2,3]
+ e = [1,1]
+ y_front = [2,2]
+ dx_front = [1.,2.,3.]
+ y_rear = [1.5,1.5]
+ dx_rear = [3.,2.,1.]
+ front_name = "front"
+ rear_name = "rear"
+ result_name = "result"
+ provide_workspace_with_x_errors(front_name, True, 1, x, y_front, e, dx_front)
+ provide_workspace_with_x_errors(rear_name, True, 1, x, y_rear, e, dx_rear)
+ provide_workspace_with_x_errors(result_name, False, 1, x, y_front, e)
+ front = mtd[front_name]
+ rear = mtd[rear_name]
+ result = mtd[result_name]
+ scale = 2.
+ # Act
+ su.correct_q_resolution_for_merged(front, rear,result, scale)
+ # Assert
+ self.assertTrue(result.hasDx(0))
+
+ dx_expected_0 = (dx_front[0]*y_front[0]*scale + dx_rear[0]*y_rear[0])/(y_front[0]*scale + y_rear[0])
+ dx_expected_1 = (dx_front[1]*y_front[1]*scale + dx_rear[1]*y_rear[1])/(y_front[1]*scale + y_rear[1])
+ dx_expected_2 = dx_expected_1
+ dx_result = result.readDx(0)
+ self.assertTrue(len(dx_result) ==3)
+ self.assertEqual(dx_result[0], dx_expected_0)
+ self.assertEqual(dx_result[1], dx_expected_1)
+ self.assertEqual(dx_result[2], dx_expected_2)
+
+ # Clean up
+ DeleteWorkspace(front)
+ DeleteWorkspace(rear)
+ DeleteWorkspace(result)
+
+
if __name__ == "__main__":
unittest.main()