diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/ApplyCorr.h b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/ApplyCorr.h
index f7d9256f52b6ec503b209092ba0c9da007140816..015811dba57e556e49ac774eadc2099b465600b8 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/ApplyCorr.h
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/ApplyCorr.h
@@ -25,20 +25,27 @@ namespace IDA
void newData(const QString &dataName);
/// Updates the preview mini plot
void plotPreview(int specIndex);
+ /// Handle algorithm completion
+ void algorithmComplete(bool error);
private:
virtual void setup();
virtual void run();
virtual bool validate();
virtual void loadSettings(const QSettings & settings);
- /// ask the user if they wish to rebin the can
- bool requireCanRebin();
+
+ void addRebinStep(QString toRebin, QString toMatch);
+ void addInterpolationStep(Mantid::API::MatrixWorkspace_sptr toInterpolate, std::string toMatch);
Ui::ApplyCorr m_uiForm;
- /// Pointer to the result workspace (for plotting)
- Mantid::API::MatrixWorkspace_sptr m_outputWs;
+
+ /// Name of sample workspace (for plotting)
+ std::string m_sampleWsName;
+ /// Name of container workspace (for plotting)
+ std::string m_canWsName;
};
+
} // namespace IDA
} // namespace CustomInterfaces
} // namespace MantidQt
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/CalcCorr.h b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/CalcCorr.h
index bbc3c670a3db4cbfdfedaf49612940108cab0407..2ecba2fd9edd8a7037f03939ab1894ee14023f37 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/CalcCorr.h
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/CalcCorr.h
@@ -23,18 +23,20 @@ namespace IDA
virtual bool validate();
virtual void loadSettings(const QSettings & settings);
+ bool doValidation(bool silent = false);
+
private slots:
- void shape(int index);
- void useCanChecked(bool checked);
- void tcSync();
- void getBeamWidthFromWorkspace(const QString& wsname);
+ void algorithmComplete(bool error);
+ void getBeamWidthFromWorkspace(const QString& wsName);
private:
+ void addShapeSpecificSampleOptions(Mantid::API::IAlgorithm_sptr alg, QString shape);
+ void addShapeSpecificCanOptions(Mantid::API::IAlgorithm_sptr alg, QString shape);
+
Ui::CalcCorr m_uiForm;
- QDoubleValidator * m_dblVal;
- QDoubleValidator * m_posDblVal;
};
+
} // namespace IDA
} // namespace CustomInterfaces
} // namespace MantidQt
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/CalcCorr.ui b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/CalcCorr.ui
index 6ec1670e1868361294f35eff5b84a65fd214d164..5a46cbc78a9517965a05f2e60f66ecdf6fbb775a 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/CalcCorr.ui
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/CalcCorr.ui
@@ -7,7 +7,7 @@
<x>0</x>
<y>0</y>
<width>661</width>
- <height>504</height>
+ <height>462</height>
</rect>
</property>
<property name="windowTitle">
@@ -21,7 +21,7 @@
</property>
<layout class="QGridLayout" name="gridLayout_11">
<item row="1" column="1">
- <widget class="MantidQt::MantidWidgets::DataSelector" name="dsCanInput" native="true">
+ <widget class="MantidQt::MantidWidgets::DataSelector" name="dsContainer" native="true">
<property name="enabled">
<bool>false</bool>
</property>
@@ -59,7 +59,7 @@
</widget>
</item>
<item row="0" column="1">
- <widget class="MantidQt::MantidWidgets::DataSelector" name="dsSampleInput" native="true">
+ <widget class="MantidQt::MantidWidgets::DataSelector" name="dsSample" native="true">
<property name="sizePolicy">
<sizepolicy hsizetype="Minimum" vsizetype="Fixed">
<horstretch>0</horstretch>
@@ -87,7 +87,7 @@
</widget>
</item>
<item row="0" column="0">
- <widget class="QLabel" name="label">
+ <widget class="QLabel" name="lbInputType">
<property name="text">
<string>Input type:</string>
</property>
@@ -109,31 +109,19 @@
</property>
<layout class="QVBoxLayout" name="verticalLayout_9">
<item>
- <layout class="QGridLayout" name="gridLayout_2">
- <item row="0" column="0">
+ <layout class="QHBoxLayout" name="loSampleShape">
+ <item>
<widget class="QLabel" name="lbSampleShape">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
<property name="text">
<string>Sample Shape:</string>
</property>
</widget>
</item>
- <item row="0" column="1">
- <widget class="QComboBox" name="cbShape">
- <property name="sizePolicy">
- <sizepolicy hsizetype="MinimumExpanding" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
+ <item>
+ <widget class="QComboBox" name="cbSampleShape">
<item>
<property name="text">
- <string>Flat</string>
+ <string>Flat Plate</string>
</property>
</item>
<item>
@@ -143,336 +131,222 @@
</item>
</widget>
</item>
- <item row="3" column="0">
- <widget class="QLabel" name="lbWidth">
- <property name="text">
- <string>Beam Width:</string>
- </property>
- </widget>
- </item>
- <item row="2" column="1">
- <widget class="QLineEdit" name="leavar">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="2" column="0">
- <widget class="QLabel" name="lbAvar">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string>Sample Angle:</string>
- </property>
- </widget>
- </item>
- <item row="2" column="2">
- <widget class="QLabel" name="valAvar">
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- <item row="3" column="1">
- <widget class="QLineEdit" name="lewidth">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="3" column="2">
- <widget class="QLabel" name="valWidth">
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- <item row="1" column="0" colspan="3">
- <widget class="QStackedWidget" name="swShapeDetails">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="lineWidth">
- <number>1</number>
+ </layout>
+ </item>
+ <item>
+ <widget class="QStackedWidget" name="swShapeOptions">
+ <property name="currentIndex">
+ <number>0</number>
+ </property>
+ <widget class="QWidget" name="pgFlatPlate">
+ <layout class="QGridLayout" name="gridLayout_2">
+ <property name="margin">
+ <number>0</number>
</property>
- <property name="currentIndex">
+ <item row="0" column="2">
+ <widget class="QLabel" name="lbFlatSampleAngle">
+ <property name="text">
+ <string>Sample Angle:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="3" column="0">
+ <widget class="QLabel" name="lbFlatCanFrontThickness">
+ <property name="text">
+ <string>Container Front Thickness:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="3" column="2">
+ <widget class="QLabel" name="lbFlatCanBackThickness">
+ <property name="text">
+ <string>Container Back Thickness:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="3" column="3">
+ <widget class="QDoubleSpinBox" name="spFlatCanBackThickness">
+ <property name="suffix">
+ <string> cm</string>
+ </property>
+ <property name="decimals">
+ <number>3</number>
+ </property>
+ <property name="singleStep">
+ <double>0.100000000000000</double>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="0">
+ <widget class="QLabel" name="lbFlatSampleThickness">
+ <property name="text">
+ <string>Sample Thickness:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="3" column="1">
+ <widget class="QDoubleSpinBox" name="spFlatCanFrontThickness">
+ <property name="suffix">
+ <string> cm</string>
+ </property>
+ <property name="decimals">
+ <number>3</number>
+ </property>
+ <property name="singleStep">
+ <double>0.100000000000000</double>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="3">
+ <widget class="QDoubleSpinBox" name="spFlatSampleAngle">
+ <property name="decimals">
+ <number>3</number>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="1">
+ <widget class="QDoubleSpinBox" name="spFlatSampleThickness">
+ <property name="suffix">
+ <string> cm</string>
+ </property>
+ <property name="decimals">
+ <number>3</number>
+ </property>
+ <property name="singleStep">
+ <double>0.100000000000000</double>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ <widget class="QWidget" name="pgCylinder">
+ <layout class="QGridLayout" name="gridLayout_4">
+ <property name="margin">
<number>0</number>
</property>
- <widget class="QWidget" name="pageFlat">
- <layout class="QVBoxLayout" name="verticalLayout_4">
- <property name="margin">
- <number>0</number>
+ <item row="5" column="3">
+ <widget class="QDoubleSpinBox" name="spCylBeamWidth">
+ <property name="decimals">
+ <number>3</number>
</property>
- <item>
- <layout class="QGridLayout" name="gridLayout_5_thickness" columnminimumwidth="97,0,0,0,0,0,0,0,0">
- <item row="0" column="2">
- <widget class="QLabel" name="valts">
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- <item row="0" column="5">
- <widget class="QLabel" name="valtc1">
- <property name="enabled">
- <bool>false</bool>
- </property>
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>9</width>
- <height>24</height>
- </size>
- </property>
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- <item row="0" column="8">
- <widget class="QLabel" name="valtc2">
- <property name="enabled">
- <bool>false</bool>
- </property>
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>9</width>
- <height>24</height>
- </size>
- </property>
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- <item row="0" column="7">
- <widget class="QLineEdit" name="letc2">
- <property name="enabled">
- <bool>false</bool>
- </property>
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="0" column="6">
- <widget class="QLabel" name="lbtc2">
- <property name="enabled">
- <bool>false</bool>
- </property>
- <property name="text">
- <string>Can Back Thickness:</string>
- </property>
- </widget>
- </item>
- <item row="0" column="3">
- <widget class="QLabel" name="lbtc1">
- <property name="enabled">
- <bool>false</bool>
- </property>
- <property name="text">
- <string>Can Front Thickness:</string>
- </property>
- </widget>
- </item>
- <item row="0" column="0">
- <widget class="QLabel" name="lbts">
- <property name="text">
- <string>Thickness:</string>
- </property>
- </widget>
- </item>
- <item row="0" column="4">
- <widget class="QLineEdit" name="letc1">
- <property name="enabled">
- <bool>false</bool>
- </property>
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="0" column="1">
- <widget class="QLineEdit" name="lets">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- </layout>
- </widget>
- <widget class="QWidget" name="pageCylinder">
- <layout class="QVBoxLayout" name="cylinder_layout">
- <property name="margin">
- <number>0</number>
+ <property name="singleStep">
+ <double>0.100000000000000</double>
</property>
- <item>
- <layout class="QGridLayout" name="gridLayout_3" columnminimumwidth="0,97,0,0,0,0,0,0,0,0">
- <item row="0" column="1">
- <widget class="QLabel" name="lbR1">
- <property name="text">
- <string>Radius 1:</string>
- </property>
- </widget>
- </item>
- <item row="0" column="4">
- <widget class="QLabel" name="lbR2">
- <property name="text">
- <string>Radius 2:</string>
- </property>
- </widget>
- </item>
- <item row="0" column="8">
- <widget class="QLineEdit" name="ler3">
- <property name="enabled">
- <bool>false</bool>
- </property>
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="0" column="6">
- <widget class="QLabel" name="valR2">
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- <item row="0" column="3">
- <widget class="QLabel" name="valR1">
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- <item row="0" column="2">
- <widget class="QLineEdit" name="ler1">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Expanding" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="0" column="9">
- <widget class="QLabel" name="valR3">
- <property name="enabled">
- <bool>false</bool>
- </property>
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>9</width>
- <height>0</height>
- </size>
- </property>
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- <item row="0" column="7">
- <widget class="QLabel" name="lbR3">
- <property name="enabled">
- <bool>false</bool>
- </property>
- <property name="text">
- <string>Can Radius:</string>
- </property>
- </widget>
- </item>
- <item row="0" column="5">
- <widget class="QLineEdit" name="ler2">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- </layout>
- </widget>
- </widget>
- </item>
- </layout>
+ </widget>
+ </item>
+ <item row="5" column="2">
+ <widget class="QLabel" name="lbCylBeamWidth">
+ <property name="text">
+ <string>Beam Width:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="5" column="0">
+ <widget class="QLabel" name="lbCylBeamHeight">
+ <property name="text">
+ <string>Beam Height:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="5" column="1">
+ <widget class="QDoubleSpinBox" name="spCylBeamHeight">
+ <property name="decimals">
+ <number>3</number>
+ </property>
+ <property name="singleStep">
+ <double>0.100000000000000</double>
+ </property>
+ </widget>
+ </item>
+ <item row="7" column="0">
+ <widget class="QLabel" name="lbCylStepSize">
+ <property name="text">
+ <string>Step Size:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="7" column="1">
+ <widget class="QDoubleSpinBox" name="spCylStepSize">
+ <property name="decimals">
+ <number>4</number>
+ </property>
+ <property name="singleStep">
+ <double>0.001000000000000</double>
+ </property>
+ <property name="value">
+ <double>0.002000000000000</double>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="0">
+ <widget class="QLabel" name="lbCylSampleInnerRadius">
+ <property name="text">
+ <string>Sample Inner Radius:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="1">
+ <widget class="QDoubleSpinBox" name="spCylSampleInnerRadius">
+ <property name="decimals">
+ <number>3</number>
+ </property>
+ <property name="maximum">
+ <double>9999.989999999999782</double>
+ </property>
+ <property name="singleStep">
+ <double>0.100000000000000</double>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="3">
+ <widget class="QDoubleSpinBox" name="spCylSampleOuterRadius">
+ <property name="decimals">
+ <number>3</number>
+ </property>
+ <property name="maximum">
+ <double>9999.989999999999782</double>
+ </property>
+ <property name="singleStep">
+ <double>0.100000000000000</double>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="2">
+ <widget class="QLabel" name="lbCylSampleOuterRadius">
+ <property name="text">
+ <string>Sample Outer Radius:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="1" column="0">
+ <widget class="QLabel" name="lbCylCanOuterRadius">
+ <property name="text">
+ <string>Container Outer Radius:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="1" column="1">
+ <widget class="QDoubleSpinBox" name="spCylCanOuterRadius">
+ <property name="decimals">
+ <number>3</number>
+ </property>
+ <property name="maximum">
+ <double>9999.989999999999782</double>
+ </property>
+ <property name="singleStep">
+ <double>0.100000000000000</double>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ </widget>
</item>
</layout>
</widget>
</item>
<item>
- <widget class="QGroupBox" name="gbSample">
+ <widget class="QGroupBox" name="gbSampleDetails">
<property name="sizePolicy">
<sizepolicy hsizetype="Preferred" vsizetype="Fixed">
<horstretch>0</horstretch>
@@ -482,217 +356,64 @@
<property name="title">
<string>Sample Details</string>
</property>
- <layout class="QVBoxLayout" name="verticalLayout_13">
- <item>
- <layout class="QGridLayout" name="gridLayout_9" columnminimumwidth="0,0,0,0,0,9">
- <item row="0" column="0">
- <widget class="QLabel" name="lbsamden">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string>Number Density:</string>
- </property>
- </widget>
- </item>
- <item row="1" column="0">
- <widget class="QLabel" name="abs_lblSampleInputType">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string>Cross Sections From:</string>
- </property>
- </widget>
- </item>
- <item row="1" column="4" colspan="2">
- <widget class="QStackedWidget" name="swSampleInputType">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="currentIndex">
- <number>0</number>
- </property>
- <widget class="QWidget" name="pgSampleChemicalFormula">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <layout class="QVBoxLayout" name="verticalLayout_17">
- <property name="margin">
- <number>0</number>
- </property>
- <item>
- <layout class="QGridLayout" name="gridLayout_12" columnminimumwidth="0,9">
- <item row="0" column="0">
- <widget class="QLineEdit" name="leSampleFormula">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="0" column="1">
- <widget class="QLabel" name="valSampleFormula">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- </layout>
- </widget>
- <widget class="QWidget" name="pgSampleCrossSections">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <layout class="QVBoxLayout" name="verticalLayout_16">
- <property name="margin">
- <number>0</number>
- </property>
- <item>
- <layout class="QGridLayout" name="gridLayout_8" columnminimumwidth="0,0,0,0,0,9">
- <item row="0" column="4">
- <widget class="QLineEdit" name="lesamsiga">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="0" column="0">
- <widget class="QLabel" name="lbsamsigs">
- <property name="text">
- <string>Scattering cross-section:</string>
- </property>
- </widget>
- </item>
- <item row="0" column="1">
- <widget class="QLineEdit" name="lesamsigs">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="0" column="3">
- <widget class="QLabel" name="lbsamsiga">
- <property name="text">
- <string>Absorption cross-section:</string>
- </property>
- </widget>
- </item>
- <item row="0" column="2">
- <widget class="QLabel" name="valSamsigs">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- <item row="0" column="5">
- <widget class="QLabel" name="valSamsiga">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- </layout>
- </widget>
- </widget>
- </item>
- <item row="0" column="5">
- <widget class="QLabel" name="valSamden">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- <item row="0" column="1" colspan="4">
- <widget class="QLineEdit" name="lesamden">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="1" column="1" colspan="3">
- <widget class="QComboBox" name="cbSampleInputType">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <item>
- <property name="text">
- <string>Formula</string>
- </property>
- </item>
- <item>
- <property name="text">
- <string>Input</string>
- </property>
- </item>
- </widget>
- </item>
- </layout>
+ <layout class="QGridLayout" name="gridLayout">
+ <item row="0" column="1">
+ <widget class="QDoubleSpinBox" name="spSampleNumberDensity">
+ <property name="maximum">
+ <double>9999.989999999999782</double>
+ </property>
+ <property name="singleStep">
+ <double>0.100000000000000</double>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="0">
+ <widget class="QLabel" name="lbSampleNumberDensity">
+ <property name="text">
+ <string>Number Density:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="2">
+ <widget class="QLabel" name="lbSampleChemicalFormula">
+ <property name="text">
+ <string>Chemical Formula:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="3">
+ <widget class="QLineEdit" name="leSampleChemicalFormula">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="text">
+ <string/>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="4">
+ <widget class="QLabel" name="valSampleChemicalFormula">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="text">
+ <string/>
+ </property>
+ </widget>
</item>
</layout>
</widget>
</item>
<item>
- <widget class="QGroupBox" name="gbCan">
+ <widget class="QGroupBox" name="gbCanDetails">
<property name="enabled">
- <bool>true</bool>
+ <bool>false</bool>
</property>
<property name="sizePolicy">
<sizepolicy hsizetype="Preferred" vsizetype="Fixed">
@@ -703,238 +424,53 @@
<property name="title">
<string>Can Details</string>
</property>
- <layout class="QVBoxLayout" name="verticalLayout_12">
- <item>
- <layout class="QGridLayout" name="gridLayout_6" columnminimumwidth="0,0,0,0,9">
- <item row="0" column="0">
- <widget class="QLabel" name="lbCanden">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string>Number Density:</string>
- </property>
- </widget>
- </item>
- <item row="1" column="0">
- <widget class="QLabel" name="lblInputType">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string>Cross Sections From:</string>
- </property>
- </widget>
- </item>
- <item row="1" column="3" colspan="2">
- <widget class="QStackedWidget" name="swCanInputType">
- <property name="enabled">
- <bool>true</bool>
- </property>
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="currentIndex">
- <number>0</number>
- </property>
- <widget class="QWidget" name="pgCanChemicalFormula">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <layout class="QVBoxLayout" name="verticalLayout_15">
- <property name="margin">
- <number>0</number>
- </property>
- <item>
- <layout class="QGridLayout" name="gridLayout_10" columnminimumwidth="0,9">
- <item row="0" column="0">
- <widget class="QLineEdit" name="leCanFormula"/>
- </item>
- <item row="0" column="1">
- <widget class="QLabel" name="valCanFormula">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- </layout>
- </widget>
- <widget class="QWidget" name="pgCanCrossSections">
- <property name="enabled">
- <bool>true</bool>
- </property>
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <layout class="QVBoxLayout" name="verticalLayout_14">
- <property name="margin">
- <number>0</number>
- </property>
- <item>
- <layout class="QGridLayout" name="gridLayout_7" columnminimumwidth="0,0,0,0,0,0,9">
- <item row="0" column="0">
- <widget class="QLabel" name="lbCansigs">
- <property name="enabled">
- <bool>true</bool>
- </property>
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string>Scattering cross-section:</string>
- </property>
- </widget>
- </item>
- <item row="0" column="1" colspan="2">
- <widget class="QLineEdit" name="lecansigs">
- <property name="enabled">
- <bool>true</bool>
- </property>
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="0" column="3">
- <widget class="QLabel" name="valCansigs">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>0</width>
- <height>0</height>
- </size>
- </property>
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- <item row="0" column="5">
- <widget class="QLineEdit" name="lecansiga">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="0" column="6">
- <widget class="QLabel" name="valCansiga">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- <item row="0" column="4">
- <widget class="QLabel" name="lbCansiga">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string>Absorption cross-section:</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- </layout>
- </widget>
- </widget>
- </item>
- <item row="0" column="4">
- <widget class="QLabel" name="valCanden">
- <property name="enabled">
- <bool>true</bool>
- </property>
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="styleSheet">
- <string notr="true">color: rgb(255, 0, 0);</string>
- </property>
- <property name="text">
- <string>*</string>
- </property>
- </widget>
- </item>
- <item row="0" column="1" colspan="3">
- <widget class="QLineEdit" name="lecanden">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="1" column="1" colspan="2">
- <widget class="QComboBox" name="cbCanInputType">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <item>
- <property name="text">
- <string>Formula</string>
- </property>
- </item>
- <item>
- <property name="text">
- <string>Input</string>
- </property>
- </item>
- </widget>
- </item>
- </layout>
+ <layout class="QGridLayout" name="gridLayout_3">
+ <item row="0" column="0">
+ <widget class="QLabel" name="lbCanNumberDensity">
+ <property name="text">
+ <string>Number Density:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="3">
+ <widget class="QLineEdit" name="leCanChemicalFormula">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="1">
+ <widget class="QDoubleSpinBox" name="spCanNumberDensity">
+ <property name="maximum">
+ <double>9999.989999999999782</double>
+ </property>
+ <property name="singleStep">
+ <double>0.100000000000000</double>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="2">
+ <widget class="QLabel" name="lbCanChemicalFormula">
+ <property name="text">
+ <string>Chemical Formula:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="4">
+ <widget class="QLabel" name="valCanChemicalFormula">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="text">
+ <string/>
+ </property>
+ </widget>
</item>
</layout>
</widget>
@@ -950,67 +486,33 @@
<property name="title">
<string>Output Options</string>
</property>
- <layout class="QVBoxLayout" name="verticalLayout_11">
+ <layout class="QHBoxLayout" name="horizontalLayout">
<item>
- <layout class="QHBoxLayout" name="horizontalLayout_6">
- <item>
- <widget class="QLabel" name="lbPlotOutput">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string>Plot Output</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QComboBox" name="cbPlotOutput">
- <item>
- <property name="text">
- <string>None</string>
- </property>
- </item>
- <item>
- <property name="text">
- <string>Wavelength</string>
- </property>
- </item>
- <item>
- <property name="text">
- <string>Angle</string>
- </property>
- </item>
- <item>
- <property name="text">
- <string>Both</string>
- </property>
- </item>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_12">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QCheckBox" name="ckSave">
- <property name="text">
- <string>Save Result</string>
- </property>
- </widget>
- </item>
- </layout>
+ <widget class="QCheckBox" name="ckPlotOutput">
+ <property name="text">
+ <string>Plot Output</string>
+ </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>
+ <item>
+ <widget class="QCheckBox" name="ckSave">
+ <property name="text">
+ <string>Save Result</string>
+ </property>
+ </widget>
</item>
</layout>
</widget>
@@ -1026,59 +528,71 @@
</customwidgets>
<tabstops>
<tabstop>ckUseCan</tabstop>
- <tabstop>cbShape</tabstop>
- <tabstop>lets</tabstop>
- <tabstop>letc1</tabstop>
- <tabstop>letc2</tabstop>
- <tabstop>ler1</tabstop>
- <tabstop>ler2</tabstop>
- <tabstop>ler3</tabstop>
- <tabstop>leavar</tabstop>
- <tabstop>lewidth</tabstop>
- <tabstop>lesamden</tabstop>
- <tabstop>cbSampleInputType</tabstop>
- <tabstop>lesamsigs</tabstop>
- <tabstop>lesamsiga</tabstop>
- <tabstop>leSampleFormula</tabstop>
- <tabstop>lecanden</tabstop>
- <tabstop>cbCanInputType</tabstop>
- <tabstop>lecansigs</tabstop>
- <tabstop>lecansiga</tabstop>
- <tabstop>leCanFormula</tabstop>
- <tabstop>cbPlotOutput</tabstop>
+ <tabstop>cbSampleShape</tabstop>
+ <tabstop>spFlatSampleThickness</tabstop>
+ <tabstop>spFlatSampleAngle</tabstop>
+ <tabstop>spFlatCanFrontThickness</tabstop>
+ <tabstop>spFlatCanBackThickness</tabstop>
+ <tabstop>spCylSampleInnerRadius</tabstop>
+ <tabstop>spCylSampleOuterRadius</tabstop>
+ <tabstop>spCylCanOuterRadius</tabstop>
+ <tabstop>spCylBeamHeight</tabstop>
+ <tabstop>spCylBeamWidth</tabstop>
+ <tabstop>spCylStepSize</tabstop>
+ <tabstop>spSampleNumberDensity</tabstop>
+ <tabstop>leSampleChemicalFormula</tabstop>
+ <tabstop>spCanNumberDensity</tabstop>
+ <tabstop>leCanChemicalFormula</tabstop>
+ <tabstop>ckPlotOutput</tabstop>
<tabstop>ckSave</tabstop>
</tabstops>
<resources/>
<connections>
<connection>
- <sender>cbCanInputType</sender>
+ <sender>cbSampleShape</sender>
<signal>currentIndexChanged(int)</signal>
- <receiver>swCanInputType</receiver>
+ <receiver>swShapeOptions</receiver>
<slot>setCurrentIndex(int)</slot>
<hints>
<hint type="sourcelabel">
- <x>193</x>
- <y>405</y>
+ <x>486</x>
+ <y>130</y>
</hint>
<hint type="destinationlabel">
- <x>440</x>
- <y>405</y>
+ <x>330</x>
+ <y>239</y>
</hint>
</hints>
</connection>
<connection>
- <sender>cbSampleInputType</sender>
- <signal>currentIndexChanged(int)</signal>
- <receiver>swSampleInputType</receiver>
- <slot>setCurrentIndex(int)</slot>
+ <sender>ckUseCan</sender>
+ <signal>toggled(bool)</signal>
+ <receiver>gbCanDetails</receiver>
+ <slot>setEnabled(bool)</slot>
+ <hints>
+ <hint type="sourcelabel">
+ <x>173</x>
+ <y>65</y>
+ </hint>
+ <hint type="destinationlabel">
+ <x>330</x>
+ <y>481</y>
+ </hint>
+ </hints>
+ </connection>
+ <connection>
+ <sender>ckUseCan</sender>
+ <signal>toggled(bool)</signal>
+ <receiver>dsContainer</receiver>
+ <slot>setEnabled(bool)</slot>
<hints>
<hint type="sourcelabel">
- <x>193</x>
- <y>310</y>
+ <x>173</x>
+ <y>65</y>
</hint>
<hint type="destinationlabel">
- <x>440</x>
- <y>310</y>
+ <x>487</x>
+ <y>65</y>
</hint>
</hints>
</connection>
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/IDATab.h b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/IDATab.h
index ada19ebb3932a29bb482160e46fd776f1786d4fc..c77d08e199d9d2412386fae92872bbe59e5caa18 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/IDATab.h
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/IDATab.h
@@ -67,6 +67,8 @@ namespace IDA
/// Check the binning between two workspaces match
bool checkWorkspaceBinningMatches(Mantid::API::MatrixWorkspace_const_sptr left,
Mantid::API::MatrixWorkspace_const_sptr right);
+ /// Adds a conversion to wavelength step to the algorithm queue
+ std::string addConvertToWavelengthStep(Mantid::API::MatrixWorkspace_sptr ws);
/// DoubleEditorFactory
DoubleEditorFactory* m_dblEdFac;
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/IndirectTab.h b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/IndirectTab.h
index 2664203f1fc7f8d0aa4341d4e4a5a252938ae462..802933488db6fcc51f853c00fb460f630bb6abe4 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/IndirectTab.h
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/IndirectTab.h
@@ -91,6 +91,16 @@ namespace CustomInterfaces
/// Run the load algorithm with the given file name, output name and spectrum range
bool loadFile(const QString& filename, const QString& outputName, const int specMin = -1, const int specMax = -1);
+ /// Add a SaveNexusProcessed step to the batch queue
+ void addSaveWorkspaceToQueue(const QString & wsName, const QString & filename = "");
+
+ /// Plot a spectrum plot given a list of workspace names
+ void plotSpectrum(const QStringList & workspaceNames, int specIndex = 0);
+ void plotSpectrum(const QString & workspaceName, int specIndex = 0);
+
+ /// Plot a contour plot of a given workspace
+ void plotContour(const QString & workspaceName);
+
/// Function to set the range limits of the plot
void setPlotPropertyRange(MantidQt::MantidWidgets::RangeSelector * rs,
QtProperty* min, QtProperty* max,
@@ -100,6 +110,12 @@ namespace CustomInterfaces
QtProperty* lower, QtProperty* upper,
const QPair<double, double> & bounds);
+ /// Function to get energy mode from a workspace
+ std::string getEMode(Mantid::API::MatrixWorkspace_sptr ws);
+
+ /// Function to get eFixed from a workspace
+ double getEFixed(Mantid::API::MatrixWorkspace_sptr ws);
+
/// Function to run an algorithm on a seperate thread
void runAlgorithm(const Mantid::API::IAlgorithm_sptr algorithm);
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/ApplyCorr.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/ApplyCorr.cpp
index 7ca36c482874d676f761e9e0ecc0eb0b3fd60361..1e3827e19558474516d9681fce45fb28f2c72278 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/ApplyCorr.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/ApplyCorr.cpp
@@ -1,9 +1,11 @@
#include "MantidQtCustomInterfaces/Indirect/ApplyCorr.h"
+#include "MantidQtCustomInterfaces/UserInputValidator.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/TextAxis.h"
#include <QStringList>
+
using namespace Mantid::API;
namespace
@@ -21,10 +23,8 @@ namespace IDA
IDATab(parent)
{
m_uiForm.setupUi(parent);
- }
- void ApplyCorr::setup()
- {
+ connect(m_batchAlgoRunner, SIGNAL(batchComplete(bool)), this, SLOT(algorithmComplete(bool)));
connect(m_uiForm.cbGeometry, SIGNAL(currentIndexChanged(int)), this, SLOT(handleGeometryChange(int)));
connect(m_uiForm.dsSample, SIGNAL(dataReady(const QString&)), this, SLOT(newData(const QString&)));
connect(m_uiForm.spPreviewSpec, SIGNAL(valueChanged(int)), this, SLOT(plotPreview(int)));
@@ -33,6 +33,12 @@ namespace IDA
m_uiForm.spPreviewSpec->setMaximum(0);
}
+
+ void ApplyCorr::setup()
+ {
+ }
+
+
/**
* Disables corrections when using S(Q, w) as input data.
*
@@ -48,155 +54,301 @@ namespace IDA
m_uiForm.ppPreview->addSpectrum("Sample", sampleWs, 0, Qt::black);
}
+
void ApplyCorr::run()
{
- QString geom = m_uiForm.cbGeometry->currentText();
- if ( geom == "Flat" )
+ API::BatchAlgorithmRunner::AlgorithmRuntimeProps absCorProps;
+ IAlgorithm_sptr applyCorrAlg = AlgorithmManager::Instance().create("ApplyPaalmanPingsCorrection");
+ applyCorrAlg->initialize();
+
+ QString sampleWsName = m_uiForm.dsSample->getCurrentDataName();
+ MatrixWorkspace_sptr sampleWs = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(sampleWsName.toStdString());
+ Mantid::Kernel::Unit_sptr sampleXUnit = sampleWs->getAxis(0)->unit();
+
+ // If not in wavelength then do conversion
+ if(sampleXUnit->caption() != "Wavelength")
{
- geom = "flt";
+ g_log.information("Sample workspace not in wavelength, need to convert to continue.");
+ absCorProps["SampleWorkspace"] = addConvertToWavelengthStep(sampleWs);
}
- else if ( geom == "Cylinder" )
+ else
{
- geom = "cyl";
+ absCorProps["SampleWorkspace"] = sampleWsName.toStdString();
}
- QString pyInput = "from IndirectDataAnalysis import abscorFeeder\n";
-
- QString sample = m_uiForm.dsSample->getCurrentDataName();
- MatrixWorkspace_const_sptr sampleWs = AnalysisDataService::Instance().retrieveWS<const MatrixWorkspace>(sample.toStdString());
-
- pyInput += "sample = '"+sample+"'\n";
- pyInput += "rebin_can = False\n";
- bool noContainer = false;
-
bool useCan = m_uiForm.ckUseCan->isChecked();
if(useCan)
{
- QString container = m_uiForm.dsContainer->getCurrentDataName();
- MatrixWorkspace_const_sptr canWs = AnalysisDataService::Instance().retrieveWS<const MatrixWorkspace>(container.toStdString());
+ QString canWsName = m_uiForm.dsContainer->getCurrentDataName();
+ MatrixWorkspace_sptr canWs = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(canWsName.toStdString());
- if (!checkWorkspaceBinningMatches(sampleWs, canWs))
+ // If not in wavelength then do conversion
+ Mantid::Kernel::Unit_sptr canXUnit = canWs->getAxis(0)->unit();
+ if(canXUnit->caption() != "Wavelength")
{
- if (requireCanRebin())
+ g_log.information("Container workspace not in wavelength, need to convert to continue.");
+ absCorProps["CanWorkspace"] = addConvertToWavelengthStep(canWs);
+ }
+ else
+ {
+ absCorProps["CanWorkspace"] = canWsName.toStdString();
+ }
+
+ bool useCanScale = m_uiForm.ckScaleCan->isChecked();
+ if(useCanScale)
+ {
+ double canScaleFactor = m_uiForm.spCanScale->value();
+ applyCorrAlg->setProperty("CanScaleFactor", canScaleFactor);
+ }
+
+ // Check for same binning across sample and container
+ if(!checkWorkspaceBinningMatches(sampleWs, canWs))
+ {
+ QString text = "Binning on sample and container does not match."
+ "Would you like to rebin the sample to match the container?";
+
+ int result = QMessageBox::question(NULL, tr("Rebin sample?"), tr(text),
+ QMessageBox::Yes, QMessageBox::No, QMessageBox::NoButton);
+
+ if(result == QMessageBox::Yes)
{
- pyInput += "rebin_can = True\n";
+ addRebinStep(sampleWsName, canWsName);
}
else
{
- //user clicked cancel and didn't want to rebin, so just do nothing.
+ m_batchAlgoRunner->clearQueue();
+ g_log.error("Cannot apply absorption corrections using a sample and container with different binning.");
return;
}
}
-
- pyInput += "container = '" + container + "'\n";
}
- else
- {
- pyInput += "container = ''\n";
- noContainer = true;
- }
-
- pyInput += "geom = '" + geom + "'\n";
- if( m_uiForm.ckUseCorrections->isChecked() )
- {
- pyInput += "useCor = True\n";
- QString corrections = m_uiForm.dsCorrections->getCurrentDataName();
- pyInput += "corrections = '" + corrections + "'\n";
- }
- else
+ bool useCorrections = m_uiForm.ckUseCorrections->isChecked();
+ if(useCorrections)
{
- pyInput += "useCor = False\n";
- pyInput += "corrections = ''\n";
+ QString correctionsWsName = m_uiForm.dsCorrections->getCurrentDataName();
- // if we have no container and no corrections then abort
- if(noContainer)
+ WorkspaceGroup_sptr corrections = AnalysisDataService::Instance().retrieveWS<WorkspaceGroup>(correctionsWsName.toStdString());
+ bool interpolateAll = false;
+ for(size_t i = 0; i < corrections->size(); i++)
{
- showMessageBox("Apply Corrections requires either a can file or a corrections file.");
- return;
+ MatrixWorkspace_sptr factorWs = boost::dynamic_pointer_cast<MatrixWorkspace>(corrections->getItem(i));
+
+ // Check for matching binning
+ if(sampleWs && (sampleWs->blocksize() != factorWs->blocksize()))
+ {
+ int result;
+ if(interpolateAll)
+ {
+ result = QMessageBox::Yes;
+ }
+ else
+ {
+ QString text = "Number of bins on sample and "
+ + QString::fromStdString(factorWs->name())
+ + " workspace does not match.\n"
+ + "Would you like to interpolate this workspace to match the sample?";
+
+ result = QMessageBox::question(NULL, tr("Interpolate corrections?"), tr(text),
+ QMessageBox::YesToAll, QMessageBox::Yes, QMessageBox::No);
+ }
+
+ switch(result)
+ {
+ case QMessageBox::YesToAll:
+ interpolateAll = true;
+ case QMessageBox::Yes:
+ addInterpolationStep(factorWs, absCorProps["SampleWorkspace"]);
+ break;
+ default:
+ m_batchAlgoRunner->clearQueue();
+ g_log.error("ApplyCorr cannot run with corrections that do not match sample binning.");
+ return;
+ }
+ }
}
- }
- QString ScalingFactor = "1.0\n";
- QString ScaleOrNot = "False\n";
+ applyCorrAlg->setProperty("CorrectionsWorkspace", correctionsWsName.toStdString());
+ }
- pyInput += m_uiForm.ckScaleCan->isChecked() ? "True\n" : "False\n";
+ // Generate output workspace name
+ int nameCutIndex = sampleWsName.lastIndexOf("_");
+ if(nameCutIndex == -1)
+ nameCutIndex = sampleWsName.length();
- if ( m_uiForm.ckScaleCan->isChecked() )
+ QString correctionType;
+ switch(m_uiForm.cbGeometry->currentIndex())
{
- ScalingFactor = m_uiForm.spCanScale->text();
- ScaleOrNot = "True\n";
+ case 0:
+ correctionType = "flt";
+ break;
+ case 1:
+ correctionType = "cyl";
+ break;
}
+ const QString outputWsName = sampleWsName.left(nameCutIndex) + + "_" + correctionType + "_Corrected";
- pyInput += "scale = " + ScaleOrNot + "\n";
- pyInput += "scaleFactor = " + ScalingFactor + "\n";
+ applyCorrAlg->setProperty("OutputWorkspace", outputWsName.toStdString());
- if ( m_uiForm.ckSave->isChecked() ) pyInput += "save = True\n";
- else pyInput += "save = False\n";
+ // Add corrections algorithm to queue
+ m_sampleWsName = absCorProps["SampleWorkspace"];
+ m_canWsName = absCorProps["CanWorkspace"];
+ m_batchAlgoRunner->addAlgorithm(applyCorrAlg, absCorProps);
- QString plotResult = m_uiForm.cbPlotOutput->currentText();
- if ( plotResult == "Contour" )
- {
- plotResult = "Contour";
- }
- else if ( plotResult == "Spectra" )
- {
- plotResult = "Spectrum";
- }
- else if ( plotResult == "Both" )
- {
- plotResult = "Both";
- }
+ // Add save algorithms if required
+ bool save = m_uiForm.ckSave->isChecked();
+ if(save)
+ addSaveWorkspaceToQueue(outputWsName);
- pyInput += "plotResult = '" + plotResult + "'\n";
- pyInput += "print abscorFeeder(sample, container, geom, useCor, corrections, RebinCan=rebin_can, ScaleOrNotToScale=scale, factor=scaleFactor, Save=save, PlotResult=plotResult)\n";
+ // Run algorithm queue
+ m_batchAlgoRunner->executeBatchAsync();
- QString pyOutput = runPythonCode(pyInput).trimmed();
+ // Set the result workspace for Python script export
+ m_pythonExportWsName = outputWsName.toStdString();
+ }
- m_outputWs = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(pyOutput.toStdString());
- plotPreview(m_uiForm.spPreviewSpec->value());
- // Set the result workspace for Python script export
- m_pythonExportWsName = pyOutput.toStdString();
+ /**
+ * Adds a rebin to workspace step to the calculation for when using a sample and container that
+ * have different binning.
+ *
+ * @param toRebin
+ * @param toMatch
+ */
+ void ApplyCorr::addRebinStep(QString toRebin, QString toMatch)
+ {
+ API::BatchAlgorithmRunner::AlgorithmRuntimeProps rebinProps;
+ rebinProps["WorkspaceToMatch"] = toMatch.toStdString();
+
+ IAlgorithm_sptr rebinAlg = AlgorithmManager::Instance().create("RebinToWorkspace");
+ rebinAlg->initialize();
+
+ rebinAlg->setProperty("WorkspaceToRebin", toRebin.toStdString());
+ rebinAlg->setProperty("OutputWorkspace", toRebin.toStdString());
+
+ m_batchAlgoRunner->addAlgorithm(rebinAlg, rebinProps);
}
+
/**
- * Ask the user is they wish to rebin the can to the sample.
- * @return whether a rebin of the can workspace is required.
+ * Adds a spline interpolation as a step in the calculation for using legacy correction factor
+ * workspaces.
+ *
+ * @param toInterpolate Pointer to the workspace to interpolate
+ * @param toMatch Name of the workspace to match
*/
- bool ApplyCorr::requireCanRebin()
+ void ApplyCorr::addInterpolationStep(MatrixWorkspace_sptr toInterpolate, std::string toMatch)
{
- QString message = "The sample and can energy ranges do not match, this is not recommended."
- "\n\n Click OK to rebin the can to match the sample and continue or Cancel to abort applying corrections.";
- QMessageBox::StandardButton reply = QMessageBox::warning(m_parentWidget, "Energy Ranges Do Not Match",
- message, QMessageBox::Ok|QMessageBox::Cancel);
- return (reply == QMessageBox::Ok);
+ API::BatchAlgorithmRunner::AlgorithmRuntimeProps interpolationProps;
+ interpolationProps["WorkspaceToMatch"] = toMatch;
+
+ IAlgorithm_sptr interpolationAlg = AlgorithmManager::Instance().create("SplineInterpolation");
+ interpolationAlg->initialize();
+
+ interpolationAlg->setProperty("WorkspaceToInterpolate", toInterpolate->name());
+ interpolationAlg->setProperty("OutputWorkspace", toInterpolate->name());
+
+ m_batchAlgoRunner->addAlgorithm(interpolationAlg, interpolationProps);
+ }
+
+
+ /**
+ * Handles completion of the algorithm.
+ *
+ * @param error True if algorithm failed.
+ */
+ void ApplyCorr::algorithmComplete(bool error)
+ {
+ if(error)
+ {
+ emit showMessageBox("Unable to apply corrections.\nSee Results Log for more details.");
+ return;
+ }
+
+ // Handle preview plot
+ plotPreview(m_uiForm.spPreviewSpec->value());
+
+ // Handle Mantid plotting
+ QString plotType = m_uiForm.cbPlotOutput->currentText();
+
+ if(plotType == "Spectra" || plotType == "Both")
+ plotSpectrum(QString::fromStdString(m_pythonExportWsName));
+
+ if(plotType == "Contour" || plotType == "Both")
+ plotContour(QString::fromStdString(m_pythonExportWsName));
}
+
bool ApplyCorr::validate()
{
+ UserInputValidator uiv;
+
+ uiv.checkDataSelectorIsValid("Sample", m_uiForm.dsSample);
+
+ MatrixWorkspace_sptr sampleWs;
+
bool useCan = m_uiForm.ckUseCan->isChecked();
+ bool useCorrections = m_uiForm.ckUseCorrections->isChecked();
+
+ if(!(useCan || useCorrections))
+ uiv.addErrorMessage("Must use either container subtraction or corrections");
if(useCan)
{
+ uiv.checkDataSelectorIsValid("Container", m_uiForm.dsContainer);
+
+ // Check can and sample workspaces are the same "type" (reduced or S(Q, w))
QString sample = m_uiForm.dsSample->getCurrentDataName();
QString sampleType = sample.right(sample.length() - sample.lastIndexOf("_"));
QString container = m_uiForm.dsContainer->getCurrentDataName();
QString containerType = container.right(container.length() - container.lastIndexOf("_"));
g_log.debug() << "Sample type is: " << sampleType.toStdString() << std::endl;
- g_log.debug() << "Container type is: " << containerType.toStdString() << std::endl;
+ g_log.debug() << "Can type is: " << containerType.toStdString() << std::endl;
if(containerType != sampleType)
+ uiv.addErrorMessage("Sample and can workspaces must contain the same type of data.");
+ }
+
+ if(useCorrections)
+ {
+ uiv.checkDataSelectorIsValid("Corrections", m_uiForm.dsCorrections);
+
+ QString correctionsWsName = m_uiForm.dsCorrections->getCurrentDataName();
+ WorkspaceGroup_sptr corrections = AnalysisDataService::Instance().retrieveWS<WorkspaceGroup>(correctionsWsName.toStdString());
+ for(size_t i = 0; i < corrections->size(); i++)
{
- g_log.error("Must use the same type of files for sample and container inputs.");
- return false;
+ // Check it is a MatrixWorkspace
+ MatrixWorkspace_sptr factorWs = boost::dynamic_pointer_cast<MatrixWorkspace>(corrections->getItem(i));
+ if(!factorWs)
+ {
+ QString msg = "Correction factor workspace "
+ + QString::number(i)
+ + " is not a MatrixWorkspace";
+ uiv.addErrorMessage(msg);
+ continue;
+ }
+
+ // Check X unit is wavelength
+ Mantid::Kernel::Unit_sptr xUnit = factorWs->getAxis(0)->unit();
+ if(xUnit->caption() != "Wavelength")
+ {
+ QString msg = "Correction factor workspace "
+ + QString::fromStdString(factorWs->name())
+ + " is not in wavelength";
+ uiv.addErrorMessage(msg);
+ }
}
}
- return true;
+ // Show errors if there are any
+ if(!uiv.isAllInputValid())
+ emit showMessageBox(uiv.generateErrorMessage());
+
+ return uiv.isAllInputValid();
}
+
void ApplyCorr::loadSettings(const QSettings & settings)
{
m_uiForm.dsCorrections->readSettings(settings.group());
@@ -204,6 +356,7 @@ namespace IDA
m_uiForm.dsSample->readSettings(settings.group());
}
+
/**
* Handles when the type of geometry changes
*
@@ -229,6 +382,7 @@ namespace IDA
}
}
+
/**
* Replots the preview plot.
*
@@ -241,25 +395,19 @@ namespace IDA
m_uiForm.ppPreview->clear();
// Plot sample
- const QString sample = m_uiForm.dsSample->getCurrentDataName();
- if(AnalysisDataService::Instance().doesExist(sample.toStdString()))
- {
- m_uiForm.ppPreview->addSpectrum("Sample", sample, specIndex, Qt::black);
- }
+ if(AnalysisDataService::Instance().doesExist(m_sampleWsName))
+ m_uiForm.ppPreview->addSpectrum("Sample", QString::fromStdString(m_sampleWsName),
+ specIndex, Qt::black);
// Plot result
- if(m_outputWs)
- {
- m_uiForm.ppPreview->addSpectrum("Corrected", m_outputWs, specIndex, Qt::green);
- }
+ if(!m_pythonExportWsName.empty())
+ m_uiForm.ppPreview->addSpectrum("Corrected", QString::fromStdString(m_pythonExportWsName),
+ specIndex, Qt::green);
// Plot can
- if(useCan)
- {
- QString container = m_uiForm.dsContainer->getCurrentDataName();
- const MatrixWorkspace_sptr canWs = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(container.toStdString());
- m_uiForm.ppPreview->addSpectrum("Can", canWs, specIndex, Qt::red);
- }
+ if(useCan && AnalysisDataService::Instance().doesExist(m_canWsName))
+ m_uiForm.ppPreview->addSpectrum("Can", QString::fromStdString(m_canWsName),
+ specIndex, Qt::red);
}
} // namespace IDA
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/CalcCorr.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/CalcCorr.cpp
index 2f19360e2dff1c784596a81c776ef7d29e670985..8e42432f024c3da5660c3cfe8b55d071367764f0 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/CalcCorr.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/CalcCorr.cpp
@@ -3,86 +3,13 @@
#include "MantidQtCustomInterfaces/UserInputValidator.h"
#include "MantidQtMantidWidgets/WorkspaceSelector.h"
-
#include <QLineEdit>
#include <QList>
#include <QValidator>
#include <QDoubleValidator>
#include <QRegExpValidator>
-class QDoubleMultiRangeValidator : public QValidator
-{
-public:
- /**
- * Constructor.
- *
- * @param ranges :: a set of pairs of doubles representing the valid ranges of the input
- * @param parent :: the parent QObject of this QObject.
- */
- QDoubleMultiRangeValidator(std::set<std::pair<double, double>> ranges, QObject * parent) :
- QValidator(parent), m_ranges(ranges), m_slaveVal(NULL)
- {
- m_slaveVal = new QDoubleValidator(this);
- }
-
- ~QDoubleMultiRangeValidator() {}
-
- /**
- * Reimplemented from QValidator::validate().
- *
- * Returns Acceptable if the string input contains a double that is within at least one
- * of the ranges and is in the correct format.
- *
- * Else returns Intermediate if input contains a double that is outside the ranges or is in
- * the wrong format; e.g. with too many digits after the decimal point or is empty.
- *
- * Else returns Invalid - i.e. the input is not a double.
- *
- * @param input :: the input string to validate
- * @param pos :: not used.
- */
- virtual QValidator::State validate( QString & input, int & pos ) const
- {
- UNUSED_ARG(pos);
-
- if( m_ranges.empty() )
- return Intermediate;
-
- bool acceptable = false;
- bool intermediate = false;
-
- // For each range in the list, use the slave QDoubleValidator to find out the state.
- for( auto range = m_ranges.begin(); range != m_ranges.end(); ++ range )
- {
- if(range->first >= range->second)
- throw std::runtime_error("Invalid range");
-
- m_slaveVal->setBottom(range->first);
- m_slaveVal->setTop(range->second);
-
- QValidator::State rangeState = m_slaveVal->validate(input, pos);
-
- if( rangeState == Acceptable )
- acceptable = true;
- else if( rangeState == Intermediate )
- intermediate = true;
- }
-
- if( acceptable )
- return Acceptable;
- if( intermediate )
- return Intermediate;
-
- return Invalid;
- }
-
-private:
- /// Disallow default constructor.
- QDoubleMultiRangeValidator();
-
- std::set<std::pair<double, double>> m_ranges;
- QDoubleValidator * m_slaveVal;
-};
+using namespace Mantid::API;
namespace
{
@@ -96,419 +23,296 @@ namespace CustomInterfaces
namespace IDA
{
CalcCorr::CalcCorr(QWidget * parent) :
- IDATab(parent), m_dblVal(NULL), m_posDblVal(NULL)
+ IDATab(parent)
{
m_uiForm.setupUi(parent);
- m_dblVal = new QDoubleValidator(this);
- m_posDblVal = new QDoubleValidator(this);
- m_posDblVal->setBottom(0.0);
+ connect(m_uiForm.dsSample, SIGNAL(dataReady(const QString&)), this, SLOT(getBeamWidthFromWorkspace(const QString&)));
+ connect(m_batchAlgoRunner, SIGNAL(batchComplete(bool)), this, SLOT(algorithmComplete(bool)));
+
+ QRegExp regex("[A-Za-z0-9\\-\\(\\)]*");
+ QValidator *formulaValidator = new QRegExpValidator(regex, this);
+ m_uiForm.leSampleChemicalFormula->setValidator(formulaValidator);
+ m_uiForm.leCanChemicalFormula->setValidator(formulaValidator);
}
+
void CalcCorr::setup()
{
- // set signals and slot connections for F2Py Absorption routine
- connect(m_uiForm.cbShape, SIGNAL(currentIndexChanged(int)), this, SLOT(shape(int)));
- connect(m_uiForm.ckUseCan, SIGNAL(toggled(bool)), this, SLOT(useCanChecked(bool)));
- connect(m_uiForm.letc1, SIGNAL(editingFinished()), this, SLOT(tcSync()));
- connect(m_uiForm.dsSampleInput, SIGNAL(dataReady(const QString&)), this, SLOT(getBeamWidthFromWorkspace(const QString&)));
-
- // Sort the fields into various lists.
-
- QList<QLineEdit*> allFields;
- QList<QLineEdit*> doubleFields;
- QList<QLineEdit*> positiveDoubleFields;
-
- positiveDoubleFields += m_uiForm.lets; // Thickness
- positiveDoubleFields += m_uiForm.letc1; // Front Thickness
- positiveDoubleFields += m_uiForm.letc2; // Back Thickness
+ doValidation(true);
+ }
- positiveDoubleFields += m_uiForm.ler1; // Radius 1
- positiveDoubleFields += m_uiForm.ler2; // Radius 2
- positiveDoubleFields += m_uiForm.ler3; // Radius 3
- positiveDoubleFields += m_uiForm.lewidth; // Beam Width
+ void CalcCorr::run()
+ {
+ // Get correct corrections algorithm
+ QString sampleShape = m_uiForm.cbSampleShape->currentText();
+ QString algorithmName = sampleShape.replace(" ", "") + "PaalmanPingsCorrection";
- positiveDoubleFields += m_uiForm.lesamden; // Sample Number Density
- positiveDoubleFields += m_uiForm.lesamsigs; // Sample Scattering Cross-Section
- positiveDoubleFields += m_uiForm.lesamsiga; // Sample Absorption Cross-Section
+ API::BatchAlgorithmRunner::AlgorithmRuntimeProps absCorProps;
+ IAlgorithm_sptr absCorAlgo = AlgorithmManager::Instance().create(algorithmName.toStdString());
+ absCorAlgo->initialize();
- positiveDoubleFields += m_uiForm.lecanden; // Can Number Density
- positiveDoubleFields += m_uiForm.lecansigs; // Can Scattering Cross-Section
- positiveDoubleFields += m_uiForm.lecansiga; // Can Absorption Cross-Section
+ // Sample details
+ QString sampleWsName = m_uiForm.dsSample->getCurrentDataName();
+ MatrixWorkspace_sptr sampleWs = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(sampleWsName.toStdString());
- // Set appropriate validators.
- foreach(QLineEdit * positiveDoubleField, positiveDoubleFields)
+ // If not in wavelength then do conversion
+ Mantid::Kernel::Unit_sptr sampleXUnit = sampleWs->getAxis(0)->unit();
+ if(sampleXUnit->caption() != "Wavelength")
{
- positiveDoubleField->setValidator(m_posDblVal);
+ g_log.information("Sample workspace not in wavelength, need to convert to continue.");
+ absCorProps["SampleWorkspace"] = addConvertToWavelengthStep(sampleWs);
+ }
+ else
+ {
+ absCorProps["SampleWorkspace"] = sampleWsName.toStdString();
}
- // Deal with the slightly more complex multi-range "Can Angle to Beam" field.
- std::set<std::pair<double, double>> angleRanges;
- angleRanges.insert(std::make_pair(-180, -100));
- angleRanges.insert(std::make_pair(-80, 80));
- angleRanges.insert(std::make_pair(100, 180));
- QDoubleMultiRangeValidator * angleValidator = new QDoubleMultiRangeValidator(angleRanges, this);
- m_uiForm.leavar->setValidator(angleValidator); // Can Angle to Beam
-
- allFields = positiveDoubleFields;
- allFields += m_uiForm.leavar;
-
- QRegExp regex("[A-Za-z0-9\\-\\(\\)]*");
- QValidator *formulaValidator = new QRegExpValidator(regex, this);
- m_uiForm.leSampleFormula->setValidator(formulaValidator);
- m_uiForm.leCanFormula->setValidator(formulaValidator);
-
- // "Nudge" color of title of QGroupBox to change.
- useCanChecked(m_uiForm.ckUseCan->isChecked());
- }
+ double sampleNumberDensity = m_uiForm.spSampleNumberDensity->value();
+ absCorAlgo->setProperty("SampleNumberDensity", sampleNumberDensity);
- void CalcCorr::run()
- {
- QString pyInput = "import IndirectAbsCor\n";
+ QString sampleChemicalFormula = m_uiForm.leSampleChemicalFormula->text();
+ absCorAlgo->setProperty("SampleChemicalFormula", sampleChemicalFormula.toStdString());
- QString geom;
- QString size;
+ addShapeSpecificSampleOptions(absCorAlgo, sampleShape);
- if ( m_uiForm.cbShape->currentText() == "Flat" )
- {
- geom = "flt";
- if ( m_uiForm.ckUseCan->isChecked() )
- {
- size = "[" + m_uiForm.lets->text() + ", " +
- m_uiForm.letc1->text() + ", " +
- m_uiForm.letc2->text() + "]";
- }
- else
- {
- size = "[" + m_uiForm.lets->text() + ", 0.0, 0.0]";
- }
- }
- else if ( m_uiForm.cbShape->currentText() == "Cylinder" )
+ // Can details
+ bool useCan = m_uiForm.ckUseCan->isChecked();
+ if(useCan)
{
- geom = "cyl";
+ QString canWsName = m_uiForm.dsContainer->getCurrentDataName();
+ MatrixWorkspace_sptr canWs = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(canWsName.toStdString());
- // R3 only populated when using can. R4 is fixed to 0.0
- if ( m_uiForm.ckUseCan->isChecked() )
+ // If not in wavelength then do conversion
+ Mantid::Kernel::Unit_sptr canXUnit = canWs->getAxis(0)->unit();
+ if(canXUnit->caption() != "Wavelength")
{
- size = "[" + m_uiForm.ler1->text() + ", " +
- m_uiForm.ler2->text() + ", " +
- m_uiForm.ler3->text() + ", 0.0 ]";
+ g_log.information("Container workspace not in wavelength, need to convert to continue.");
+ absCorProps["CanWorkspace"] = addConvertToWavelengthStep(canWs);
}
else
{
- size = "[" + m_uiForm.ler1->text() + ", " +
- m_uiForm.ler2->text() + ", 0.0, 0.0 ]";
+ absCorProps["CanWorkspace"] = canWsName.toStdString();
}
- }
-
- //get beam width
- QString width = m_uiForm.lewidth->text();
- if (width.isEmpty()) { width = "None"; }
- //get sample workspace. Load from if needed.
- QString sampleWs = m_uiForm.dsSampleInput->getCurrentDataName();
- pyInput += "inputws = '" + sampleWs + "'\n";
+ double canNumberDensity = m_uiForm.spCanNumberDensity->value();
+ absCorAlgo->setProperty("CanNumberDensity", canNumberDensity);
- //sample absorption and scattering x sections.
- QString sampleScatteringXSec = m_uiForm.lesamsigs->text();
- QString sampleAbsorptionXSec = m_uiForm.lesamsiga->text();
+ QString canChemicalFormula = m_uiForm.leCanChemicalFormula->text();
+ absCorAlgo->setProperty("CanChemicalFormula", canChemicalFormula.toStdString());
- if ( sampleScatteringXSec.isEmpty() ) { sampleScatteringXSec = "0.0"; }
- if ( sampleAbsorptionXSec.isEmpty() ) { sampleAbsorptionXSec = "0.0"; }
+ addShapeSpecificCanOptions(absCorAlgo, sampleShape);
+ }
- //can and sample formulas
- QString sampleFormula = m_uiForm.leSampleFormula->text();
- QString canFormula = m_uiForm.leCanFormula->text();
+ std::string eMode = getEMode(sampleWs);
+ absCorAlgo->setProperty("EMode", eMode);
+ if(eMode == "Indirect")
+ absCorAlgo->setProperty("EFixed", getEFixed(sampleWs));
- if ( sampleFormula.isEmpty() )
- {
- sampleFormula = "None";
- }
- else
- {
- sampleFormula = "'" + sampleFormula + "'";
- }
+ // Generate workspace names
+ int nameCutIndex = sampleWsName.lastIndexOf("_");
+ if(nameCutIndex == -1)
+ nameCutIndex = sampleWsName.length();
- if ( canFormula.isEmpty() )
- {
- canFormula = "None";
- }
- else
+ QString correctionType;
+ switch(m_uiForm.cbSampleShape->currentIndex())
{
- canFormula = "'" + canFormula + "'";
+ case 0:
+ correctionType = "flt";
+ break;
+ case 1:
+ correctionType = "cyl";
+ break;
}
- //create python string to execute
- if ( m_uiForm.ckUseCan->isChecked() )
- {
- //get sample workspace. Load from if needed.
- QString canWs = m_uiForm.dsCanInput->getCurrentDataName();
- pyInput += "canws = '" + canWs + "'\n";
-
- //can absoprtion and scattering x section.
- QString canScatteringXSec = m_uiForm.lecansigs->text();
- QString canAbsorptionXSec = m_uiForm.lecansiga->text();
-
- if ( canScatteringXSec.isEmpty() ) { canScatteringXSec = "0.0"; }
- if ( canAbsorptionXSec.isEmpty() ) { canAbsorptionXSec = "0.0"; }
-
- pyInput +=
- "ncan = 2\n"
- "density = [" + m_uiForm.lesamden->text() + ", " + m_uiForm.lecanden->text() + ", " + m_uiForm.lecanden->text() + "]\n"
- "sigs = [" + sampleScatteringXSec + "," + canScatteringXSec + "," + canScatteringXSec + "]\n"
- "siga = [" + sampleAbsorptionXSec + "," + canAbsorptionXSec + "," + canAbsorptionXSec + "]\n";
- }
- else
- {
- pyInput +=
- "ncan = 1\n"
- "density = [" + m_uiForm.lesamden->text() + ", 0.0, 0.0 ]\n"
- "sigs = [" + sampleScatteringXSec + ", 0.0, 0.0]\n"
- "siga = [" + sampleAbsorptionXSec + ", 0.0, 0.0]\n"
- "canws = None\n";
- }
+ const QString outputWsName = sampleWsName.left(nameCutIndex) + "_" + correctionType + "_abs";
+ absCorAlgo->setProperty("OutputWorkspace", outputWsName.toStdString());
- //Output options
- if ( m_uiForm.ckSave->isChecked() ) pyInput += "save = True\n";
- else pyInput += "save = False\n";
+ // Add corrections algorithm to queue
+ m_batchAlgoRunner->addAlgorithm(absCorAlgo, absCorProps);
- pyInput +=
- "geom = '" + geom + "'\n"
- "beam = " + width + "\n"
- "size = " + size + "\n"
- "avar = " + m_uiForm.leavar->text() + "\n"
- "plotOpt = '" + m_uiForm.cbPlotOutput->currentText() + "'\n"
- "sampleFormula = " + sampleFormula + "\n"
- "canFormula = " + canFormula + "\n"
- "print IndirectAbsCor.AbsRunFeeder(inputws, canws, geom, ncan, size, avar, density, beam, sampleFormula, canFormula, sigs, siga, plot_opt=plotOpt, save=save)\n";
+ // Add save algorithms if required
+ bool save = m_uiForm.ckSave->isChecked();
+ if(save)
+ addSaveWorkspaceToQueue(outputWsName);
- QString pyOutput = runPythonCode(pyInput);
+ // Run algorithm queue
+ m_batchAlgoRunner->executeBatchAsync();
// Set the result workspace for Python script export
- m_pythonExportWsName = pyOutput.trimmed().toStdString();
+ m_pythonExportWsName = outputWsName.toStdString();
}
+
bool CalcCorr::validate()
+ {
+ return doValidation();
+ }
+
+
+ /**
+ * Does validation on the user input.
+ *
+ * @param silent Set to true to avoid creating an error message
+ * @return True if all user input is valid
+ */
+ bool CalcCorr::doValidation(bool silent)
{
UserInputValidator uiv;
- bool useCan = m_uiForm.ckUseCan->isChecked();
- // Input files/workspaces
- uiv.checkDataSelectorIsValid("Sample", m_uiForm.dsSampleInput);
- if (useCan)
+ uiv.checkDataSelectorIsValid("Sample", m_uiForm.dsSample);
+
+ // Validate chemical formula
+ if(uiv.checkFieldIsNotEmpty("Sample Chemical Formula", m_uiForm.leSampleChemicalFormula, m_uiForm.valSampleChemicalFormula))
+ uiv.checkFieldIsValid("Sample Chemical Formula", m_uiForm.leSampleChemicalFormula, m_uiForm.valSampleChemicalFormula);
+
+ bool useCan = m_uiForm.ckUseCan->isChecked();
+ if(useCan)
{
- uiv.checkDataSelectorIsValid("Can", m_uiForm.dsCanInput);
+ uiv.checkDataSelectorIsValid("Can", m_uiForm.dsContainer);
- QString sample = m_uiForm.dsSampleInput->getCurrentDataName();
- QString sampleType = sample.right(sample.length() - sample.lastIndexOf("_"));
- QString container = m_uiForm.dsCanInput->getCurrentDataName();
- QString containerType = container.right(container.length() - container.lastIndexOf("_"));
+ // Validate chemical formula
+ if(uiv.checkFieldIsNotEmpty("Can Chemical Formula", m_uiForm.leCanChemicalFormula, m_uiForm.valCanChemicalFormula))
+ uiv.checkFieldIsValid("Can Chemical Formula", m_uiForm.leCanChemicalFormula, m_uiForm.valCanChemicalFormula);
+
+ // Ensure sample and container are the same kind of data
+ QString sampleWsName = m_uiForm.dsSample->getCurrentDataName();
+ QString sampleType = sampleWsName.right(sampleWsName.length() - sampleWsName.lastIndexOf("_"));
+ QString containerWsName = m_uiForm.dsContainer->getCurrentDataName();
+ QString containerType = containerWsName.right(containerWsName.length() - containerWsName.lastIndexOf("_"));
g_log.debug() << "Sample type is: " << sampleType.toStdString() << std::endl;
g_log.debug() << "Can type is: " << containerType.toStdString() << std::endl;
if(containerType != sampleType)
- {
uiv.addErrorMessage("Sample and can workspaces must contain the same type of data.");
- }
}
- uiv.checkFieldIsValid("Beam Width", m_uiForm.lewidth, m_uiForm.valWidth);
-
- if ( m_uiForm.cbShape->currentText() == "Flat" )
- {
- // Flat Geometry
- uiv.checkFieldIsValid("Thickness", m_uiForm.lets, m_uiForm.valts);
+ // Show error mssage if needed
+ if(!uiv.isAllInputValid() && !silent)
+ emit showMessageBox(uiv.generateErrorMessage());
- if ( useCan )
- {
- uiv.checkFieldIsValid("Front Thickness", m_uiForm.letc1, m_uiForm.valtc1);
- uiv.checkFieldIsValid("Back Thickness", m_uiForm.letc2, m_uiForm.valtc2);
- }
+ return uiv.isAllInputValid();
+ }
- uiv.checkFieldIsValid("Can Angle to Beam must be in the range [-180 to -100], [-80 to 80] or [100 to 180].", m_uiForm.leavar, m_uiForm.valAvar);
- }
- if ( m_uiForm.cbShape->currentText() == "Cylinder" )
+ /**
+ * Handles completion of the correction algorithm.
+ *
+ * @param error True of the algorithm failed
+ */
+ void CalcCorr::algorithmComplete(bool error)
+ {
+ if(error)
{
- // Cylinder geometry
- uiv.checkFieldIsValid("Radius 1", m_uiForm.ler1, m_uiForm.valR1);
- uiv.checkFieldIsValid("Radius 2", m_uiForm.ler2, m_uiForm.valR2);
-
- double radius1 = m_uiForm.ler1->text().toDouble();
- double radius2 = m_uiForm.ler2->text().toDouble();
- if( radius1 >= radius2 )
- uiv.addErrorMessage("Radius 1 should be less than Radius 2.");
-
- // R3 only relevant when using can
- if ( useCan )
- {
- uiv.checkFieldIsValid("Radius 3", m_uiForm.ler3, m_uiForm.valR3);
+ emit showMessageBox("Absorption correction calculation failed.\nSee Results Log for more details.");
+ return;
+ }
- double radius3 = m_uiForm.ler3->text().toDouble();
- if( radius2 >= radius3 )
- uiv.addErrorMessage("Radius 2 should be less than Radius 3.");
+ // Handle Mantid plotting
+ bool plot = m_uiForm.ckPlotOutput->isChecked();
+ if(plot)
+ plotSpectrum(QString::fromStdString(m_pythonExportWsName));
+ }
- }
- uiv.checkFieldIsValid("Step Size", m_uiForm.leavar, m_uiForm.valAvar);
+ void CalcCorr::loadSettings(const QSettings & settings)
+ {
+ m_uiForm.dsSample->readSettings(settings.group());
+ m_uiForm.dsContainer->readSettings(settings.group());
+ }
- double stepSize = m_uiForm.leavar->text().toDouble();
- if( stepSize >= (radius2 - radius1) )
- uiv.addErrorMessage("Step size should be less than (Radius 2 - Radius 1).");
- }
- // Sample details
- uiv.checkFieldIsValid("Sample Number Density", m_uiForm.lesamden, m_uiForm.valSamden);
+ /**
+ * Gets the beam width from the instrument parameters on a given workspace
+ * and update the relevant options on the UI.
+ *
+ * @param wsName Name of the workspace
+ */
+ void CalcCorr::getBeamWidthFromWorkspace(const QString& wsName)
+ {
+ auto ws = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(wsName.toStdString());
- switch(m_uiForm.cbSampleInputType->currentIndex())
+ if(!ws)
{
- case 0:
- //input using formula
- uiv.checkFieldIsValid("Sample Formula", m_uiForm.leSampleFormula, m_uiForm.valSampleFormula);
- break;
- case 1:
- //using direct input
- uiv.checkFieldIsValid("Sample Scattering Cross-Section", m_uiForm.lesamsigs, m_uiForm.valSamsigs);
- uiv.checkFieldIsValid("Sample Absorption Cross-Section", m_uiForm.lesamsiga, m_uiForm.valSamsiga);
- break;
+ g_log.warning() << "Failed to find workspace " << wsName.toStdString() << std::endl;
+ return;
}
+ std::string paramName = "Workflow.beam-width";
+ auto instrument = ws->getInstrument();
- // Can details (only test if "Use Can" is checked)
- if ( m_uiForm.ckUseCan->isChecked() )
+ if(instrument->hasParameter(paramName))
{
- QString canFile = m_uiForm.dsCanInput->getCurrentDataName();
- if(canFile.isEmpty())
- {
- uiv.addErrorMessage("You must select a Sample file or workspace.");
- }
-
- uiv.checkFieldIsValid("Can Number Density",m_uiForm.lecanden,m_uiForm.valCanden);
-
- switch(m_uiForm.cbCanInputType->currentIndex())
- {
- case 0:
- //input using formula
- uiv.checkFieldIsValid("Can Formula", m_uiForm.leCanFormula, m_uiForm.valCanFormula);
- break;
- case 1:
- // using direct input
- uiv.checkFieldIsValid("Can Scattering Cross-Section", m_uiForm.lecansigs, m_uiForm.valCansigs);
- uiv.checkFieldIsValid("Can Absorption Cross-Section", m_uiForm.lecansiga, m_uiForm.valCansiga);
- break;
- }
+ QString beamWidth = QString::fromStdString(instrument->getStringParameter(paramName)[0]);
+ double beamWidthValue = beamWidth.toDouble();
+ m_uiForm.spCylBeamWidth->setValue(beamWidthValue);
+ m_uiForm.spCylBeamHeight->setValue(beamWidthValue);
}
-
- QString error = uiv.generateErrorMessage();
- showMessageBox(error);
-
- return error.isEmpty();
}
- void CalcCorr::loadSettings(const QSettings & settings)
- {
- m_uiForm.dsSampleInput->readSettings(settings.group());
- m_uiForm.dsCanInput->readSettings(settings.group());
- }
- void CalcCorr::shape(int index)
- {
- m_uiForm.swShapeDetails->setCurrentIndex(index);
- // Meaning of the "avar" variable changes depending on shape selection
- if ( index == 0 ) { m_uiForm.lbAvar->setText("Sample Angle:"); }
- else if ( index == 1 ) { m_uiForm.lbAvar->setText("Step Size:"); }
- }
-
- void CalcCorr::useCanChecked(bool checked)
+ /**
+ * Sets algorithm properties specific to the sample for a given shape.
+ *
+ * @param alg Algorithm to set properties of
+ * @param shape Sample shape
+ */
+ void CalcCorr::addShapeSpecificSampleOptions(IAlgorithm_sptr alg, QString shape)
{
-
- // Disable "Can Details" group and asterisks.
- m_uiForm.gbCan->setEnabled(checked);
- m_uiForm.valCanden->setVisible(checked);
- m_uiForm.lbtc1->setEnabled(checked);
- m_uiForm.lbtc2->setEnabled(checked);
- m_uiForm.letc1->setEnabled(checked);
- m_uiForm.letc2->setEnabled(checked);
- m_uiForm.lbR3->setEnabled(checked);
- m_uiForm.ler3->setEnabled(checked);
-
- QString value;
- (checked ? value = "*" : value = " ");
-
- m_uiForm.valCansigs->setText(value);
- m_uiForm.valCansiga->setText(value);
- m_uiForm.valCanFormula->setText(value);
-
- // Disable thickness fields/labels/asterisks.
- m_uiForm.valtc1->setText(value);
- m_uiForm.valtc2->setText(value);
-
- // // Disable R3 field/label/asterisk.
- m_uiForm.valR3->setText(value);
-
- if (checked)
+ if(shape == "FlatPlate")
{
- UserInputValidator uiv;
- uiv.checkFieldIsValid("",m_uiForm.lecansigs, m_uiForm.valCansigs);
- uiv.checkFieldIsValid("",m_uiForm.lecansiga, m_uiForm.valCansiga);
- uiv.checkFieldIsValid("",m_uiForm.letc1, m_uiForm.valtc1);
- uiv.checkFieldIsValid("",m_uiForm.letc2, m_uiForm.valtc2);
- uiv.checkFieldIsValid("",m_uiForm.ler3, m_uiForm.valR3);
+ double sampleThickness = m_uiForm.spFlatSampleThickness->value();
+ alg->setProperty("SampleThickness", sampleThickness);
+
+ double sampleAngle = m_uiForm.spFlatSampleAngle->value();
+ alg->setProperty("SampleAngle", sampleAngle);
}
+ else if(shape == "Cylinder")
+ {
+ double sampleInnerRadius = m_uiForm.spCylSampleInnerRadius->value();
+ alg->setProperty("SampleInnerRadius", sampleInnerRadius);
- m_uiForm.dsCanInput->setEnabled(checked);
+ double sampleOuterRadius = m_uiForm.spCylSampleOuterRadius->value();
+ alg->setProperty("SampleOuterRadius", sampleOuterRadius);
- // Workaround for "disabling" title of the QGroupBox.
- QPalette palette;
- if(checked)
- palette.setColor(
- QPalette::Disabled,
- QPalette::WindowText,
- QApplication::palette().color(QPalette::Disabled, QPalette::WindowText));
- else
- palette.setColor(
- QPalette::Active,
- QPalette::WindowText,
- QApplication::palette().color(QPalette::Active, QPalette::WindowText));
+ double beamWidth = m_uiForm.spCylBeamWidth->value();
+ alg->setProperty("BeamWidth", beamWidth);
- m_uiForm.gbCan->setPalette(palette);
- }
+ double beamHeight = m_uiForm.spCylBeamHeight->value();
+ alg->setProperty("BeamHeight", beamHeight);
- void CalcCorr::tcSync()
- {
- if ( m_uiForm.letc2->text() == "" )
- {
- QString val = m_uiForm.letc1->text();
- m_uiForm.letc2->setText(val);
+ double stepSize = m_uiForm.spCylStepSize->value();
+ alg->setProperty("StepSize", stepSize);
}
}
- void CalcCorr::getBeamWidthFromWorkspace(const QString& wsname)
- {
- using namespace Mantid::API;
- auto ws = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(wsname.toStdString());
- if (!ws)
+ /**
+ * Sets algorithm properties specific to the container for a given shape.
+ *
+ * @param alg Algorithm to set properties of
+ * @param shape Sample shape
+ */
+ void CalcCorr::addShapeSpecificCanOptions(IAlgorithm_sptr alg, QString shape)
+ {
+ if(shape == "FlatPlate")
{
- showMessageBox("Failed to find workspace " + wsname);
- return;
- }
+ double canFrontThickness = m_uiForm.spFlatCanFrontThickness->value();
+ alg->setProperty("CanFrontThickness", canFrontThickness);
- std::string paramName = "Workflow.beam-width";
- auto instrument = ws->getInstrument();
- if (instrument->hasParameter(paramName))
- {
- std::string beamWidth = instrument->getStringParameter(paramName)[0];
- m_uiForm.lewidth->setText(QString::fromUtf8(beamWidth.c_str()));
+ double canBackThickness = m_uiForm.spFlatCanBackThickness->value();
+ alg->setProperty("SampleThickness", canBackThickness);
}
- else
+ else if(shape == "Cylinder")
{
- m_uiForm.lewidth->setText("");
+ double canOuterRadius = m_uiForm.spCylCanOuterRadius->value();
+ alg->setProperty("CanOuterRadius", canOuterRadius);
}
-
}
+
+
} // namespace IDA
} // namespace CustomInterfaces
} // namespace MantidQt
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/IDATab.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/IDATab.cpp
index 0cabe7f5e333cc35de84aec9fd83e2a75b5615f8..4b394e01c0370771d4e95e458b66e96062477afa 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/IDATab.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/IDATab.cpp
@@ -32,6 +32,7 @@ namespace IDA
m_blnEdFac = new QtCheckBoxFactory(this);
}
+
/**
* Loads the tab's settings.
*
@@ -44,6 +45,7 @@ namespace IDA
loadSettings(settings);
}
+
/**
* Slot that can be called when a user edits an input.
*/
@@ -52,6 +54,7 @@ namespace IDA
validate();
}
+
/**
* Check that the binning between two workspaces matches.
*
@@ -74,6 +77,35 @@ namespace IDA
}
}
+
+ /**
+ * Adds a unit converstion into wavelength step to the batch algorithm queue.
+ *
+ * @param ws Pointer to the workspace to convert
+ * @return Name of output workspace
+ */
+ std::string IDATab::addConvertToWavelengthStep(MatrixWorkspace_sptr ws)
+ {
+ std::string outputName = ws->name() + "_inWavelength";
+
+ IAlgorithm_sptr convertAlg = AlgorithmManager::Instance().create("ConvertUnits");
+ convertAlg->initialize();
+
+ convertAlg->setProperty("InputWorkspace", ws->name());
+ convertAlg->setProperty("OutputWorkspace", outputName);
+ convertAlg->setProperty("Target", "Wavelength");
+
+ std::string eMode = getEMode(ws);
+ convertAlg->setProperty("EMode", eMode);
+
+ if(eMode == "Indirect")
+ convertAlg->setProperty("EFixed", getEFixed(ws));
+
+ m_batchAlgoRunner->addAlgorithm(convertAlg);
+
+ return outputName;
+ }
+
} // namespace IDA
} // namespace CustomInterfaces
} // namespace MantidQt
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/IndirectDataReductionTab.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/IndirectDataReductionTab.cpp
index 87c0f817542f3db909188d93a28661f049851618..423cd02cae0214aa3325bfb9fcb5bb9de12a19f2 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/IndirectDataReductionTab.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/IndirectDataReductionTab.cpp
@@ -188,7 +188,7 @@ namespace CustomInterfaces
loadParamAlg->execute();
energyWs = loadParamAlg->getProperty("Workspace");
- double efixed = energyWs->getInstrument()->getNumberParameter("efixed-val")[0];
+ double efixed = getEFixed(energyWs);
auto spectrum = energyWs->getSpectrum(0);
spectrum->setSpectrumNo(3);
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/IndirectTab.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/IndirectTab.cpp
index 2e35ed5775cab275e89d46d050334fe3a8412936..856a69723d9939f2eafcbf0c09d1b1f52cd89981 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/IndirectTab.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/Indirect/IndirectTab.cpp
@@ -6,6 +6,8 @@
#include "MantidQtAPI/InterfaceManager.h"
#include "MantidQtMantidWidgets/RangeSelector.h"
+#include <boost/algorithm/string/find.hpp>
+
using namespace Mantid::API;
using namespace Mantid::Geometry;
using namespace Mantid::Kernel;
@@ -44,6 +46,7 @@ namespace CustomInterfaces
connect(&m_pythonRunner, SIGNAL(runAsPythonScript(const QString&, bool)), this, SIGNAL(runAsPythonScript(const QString&, bool)));
}
+
//----------------------------------------------------------------------------------------------
/** Destructor
*/
@@ -51,6 +54,7 @@ namespace CustomInterfaces
{
}
+
void IndirectTab::runTab()
{
if(validate())
@@ -64,16 +68,19 @@ namespace CustomInterfaces
}
}
+
void IndirectTab::setupTab()
{
setup();
}
+
bool IndirectTab::validateTab()
{
return validate();
}
+
/**
* Handles generating a Python script for the algorithms run on the current tab.
*/
@@ -114,6 +121,7 @@ namespace CustomInterfaces
dlg->activateWindow();
}
+
/**
* Run the load algorithm with the supplied filename and spectrum range
*
@@ -140,10 +148,97 @@ namespace CustomInterfaces
load->execute();
- //If reloading fails we're out of options
+ // If reloading fails we're out of options
return load->isExecuted();
}
+
+ /**
+ * Configures the SaveNexusProcessed algorithm to save a workspace in the default
+ * save directory and adds the algorithm to the batch queue.
+ *
+ * This uses the plotSpectrum function from the Python API.
+ *
+ * @param wsName Name of workspace to save
+ * @param filename Name of file to save as (including extension)
+ */
+ void IndirectTab::addSaveWorkspaceToQueue(const QString & wsName, const QString & filename)
+ {
+ // Setup the input workspace property
+ API::BatchAlgorithmRunner::AlgorithmRuntimeProps saveProps;
+ saveProps["InputWorkspace"] = wsName.toStdString();
+
+ // Setup the algorithm
+ IAlgorithm_sptr saveAlgo = AlgorithmManager::Instance().create("SaveNexusProcessed");
+ saveAlgo->initialize();
+
+ if(filename.isEmpty())
+ saveAlgo->setProperty("Filename", wsName.toStdString() + ".nxs");
+ else
+ saveAlgo->setProperty("Filename", filename.toStdString());
+
+ // Add the save algorithm to the batch
+ m_batchAlgoRunner->addAlgorithm(saveAlgo, saveProps);
+ }
+
+
+ /**
+ * Creates a spectrum plot of one or more workspaces at a given spectrum
+ * index.
+ *
+ * This uses the plotSpectrum function from the Python API.
+ *
+ * @param workspaceNames List of names of workspaces to plot
+ * @param specIndex Index of spectrum from each workspace to plot
+ */
+ void IndirectTab::plotSpectrum(const QStringList & workspaceNames, int specIndex)
+ {
+ QString pyInput = "from mantidplot import plotSpectrum\n";
+
+ pyInput += "plotSpectrum('";
+ pyInput += workspaceNames.join("','");
+ pyInput += "', ";
+ pyInput += QString::number(specIndex);
+ pyInput += ")\n";
+
+ m_pythonRunner.runPythonCode(pyInput);
+ }
+
+
+ /**
+ * Creates a spectrum plot of a single workspace at a given spectrum
+ * index.
+ *
+ * @param workspaceName Names of workspace to plot
+ * @param specIndex Index of spectrum to plot
+ */
+ void IndirectTab::plotSpectrum(const QString & workspaceName, int specIndex)
+ {
+ QStringList workspaceNames;
+ workspaceNames << workspaceName;
+ plotSpectrum(workspaceNames, specIndex);
+ }
+
+
+ /**
+ * Plots a contour (2D) plot of a given workspace.
+ *
+ * This uses the plot2D function from the Python API.
+ *
+ * @param workspaceName Name of workspace to plot
+ */
+ void IndirectTab::plotContour(const QString & workspaceName)
+ {
+ QString pyInput = "from mantidplot import plot2D\n";
+
+ pyInput += "plot2D('";
+ pyInput += workspaceName;
+ pyInput += "')\n";
+
+ m_pythonRunner.runPythonCode(pyInput);
+ }
+
+
/**
* Sets the edge bounds of plot to prevent the user inputting invalid values
* Also sets limits for range selector movement
@@ -163,6 +258,7 @@ namespace CustomInterfaces
rs->setRange(bounds.first, bounds.second);
}
+
/**
* Set the position of the range selectors on the mini plot
*
@@ -180,6 +276,49 @@ namespace CustomInterfaces
rs->setMaximum(bounds.second);
}
+
+ /**
+ * Gets the energy mode from a workspace based on the X unit.
+ *
+ * Units of dSpacing typically denote diffraction, hence Elastic.
+ * All other units default to spectroscopy, therefore Indirect.
+ *
+ * @param ws Pointer to the workspace
+ * @return Energy mode
+ */
+ std::string IndirectTab::getEMode(Mantid::API::MatrixWorkspace_sptr ws)
+ {
+ Mantid::Kernel::Unit_sptr xUnit = ws->getAxis(0)->unit();
+ std::string xUnitName = xUnit->caption();
+
+ g_log.debug() << "X unit name is: " << xUnitName << std::endl;
+
+ if(boost::algorithm::find_first(xUnitName, "d-Spacing"))
+ return "Elastic";
+
+ return "Indirect";
+ }
+
+
+ /**
+ * Gets the eFixed value from the workspace using the instrument parameters.
+ *
+ * @param ws Pointer to the workspace
+ * @return eFixed value
+ */
+ double IndirectTab::getEFixed(Mantid::API::MatrixWorkspace_sptr ws)
+ {
+ Mantid::Geometry::Instrument_const_sptr inst = ws->getInstrument();
+ if(!inst)
+ throw std::runtime_error("No instrument on workspace");
+
+ if(!inst->hasParameter("efixed-val"))
+ throw std::runtime_error("Instrument has no efixed parameter");
+
+ return inst->getNumberParameter("efixed-val")[0];
+ }
+
+
/**
* Runs an algorithm async
*
@@ -198,6 +337,7 @@ namespace CustomInterfaces
m_batchAlgoRunner->executeBatchAsync();
}
+
/**
* Handles getting the results of an algorithm running async
*
@@ -213,6 +353,7 @@ namespace CustomInterfaces
}
}
+
/**
* Run Python code and return anything printed to stdout.
*
diff --git a/Code/Mantid/docs/source/interfaces/Indirect_DataAnalysis.rst b/Code/Mantid/docs/source/interfaces/Indirect_DataAnalysis.rst
index 604af290896c8db370d5f459624f1e31f1f7b1e1..57b8b6a9b310eeb4e8480a48e58395e9b8c33ca5 100644
--- a/Code/Mantid/docs/source/interfaces/Indirect_DataAnalysis.rst
+++ b/Code/Mantid/docs/source/interfaces/Indirect_DataAnalysis.rst
@@ -127,9 +127,6 @@ Plot Spectrum
Spectra Range
The spectra range over which to perform sequential fitting.
-Verbose
- Enables outputting additional information to the Results Log.
-
Plot Result
If enabled will plot the result as a spectra plot.
@@ -164,9 +161,6 @@ SampleBinning
The ratio at which to decrease the number of bins by through merging of
intensities from neighbouring bins.
-Verbose
- Enables outputting additional information to the Results Log.
-
Plot Result
If enabled will plot the result as a spectra plot.
@@ -256,9 +250,6 @@ Plot Spectrum
Spectra Range
The spectra range over which to perform sequential fitting.
-Verbose
- Enables outputting additional information to the Results Log.
-
Plot Output
Allows plotting spectra plots of fitting parameters, the options available
will depend on the type of fit chosen.
@@ -331,9 +322,6 @@ Plot Spectrum
Spectra Range
The spectra range over which to perform sequential fitting.
-Verbose
- Enables outputting additional information to the Results Log.
-
Plot Output
Allows plotting spectra plots of fitting parameters, the options available
will depend on the type of fit chosen.
@@ -436,13 +424,12 @@ References:
Calculate Corrections
---------------------
-.. warning:: This interface is only available on Windows
-
.. interface:: Data Analysis
:widget: tabCalcCorr
-Calculates absorption corrections that could be applied to the data when given
-information about the sample (and optionally can) geometry.
+Calculates absorption corrections in the Paalman & Pings absorption factors that
+could be applied to the data when given information about the sample (and
+optionally can) geometry.
Options
~~~~~~~
@@ -457,16 +444,18 @@ Use Can
\omega)` file (*_sqw.nxs*) or workspace (*_sqw*).
Sample Shape
- Sets the shape of the sample, this affects the options for the sample details,
- see below.
+ Sets the shape of the sample, this affects the options for the shape details
+ (see below).
-Beam Width
- Width of the incident beam.
+Sample/Can Number Density
+ Density of the sample or container.
-Verbose
- Enables outputting additional information to the Results Log.
+Sample/Can Chemical Formula
+ Chemical formula of the sample or can material. This must be provided in the
+ format expected by the :ref:`SetSampleMaterial <algm-SetSampleMaterial>`
+ algorithm.
-Plot Result
+Plot Output
Plots the :math:`A_{s,s}`, :math:`A_{s,sc}`, :math:`A_{c,sc}` and
:math:`A_{c,c}` workspaces as spectra plots.
@@ -474,60 +463,74 @@ Save Result
If enabled the result will be saved as a NeXus file in the default save
directory.
-Sample Details
-~~~~~~~~~~~~~~
+Shape Details
+~~~~~~~~~~~~~
Depending on the shape of the sample different parameters for the sample
dimension are required and are detailed below.
-Flat
-####
+Flat Plate
+##########
.. interface:: Data Analysis
- :widget: pageFlat
+ :widget: pgFlatPlate
-Thickness
+The calculation for a flat plate geometry is performed by the
+:ref:`FlatPlatePaalmanPingsCorrection <algm-FlatPlatePaalmanPingsCorrection>`
+algorithm.
+
+Sample Thickness
Thickness of sample (cm).
+Sample Angle
+ Sample angle (degrees).
+
Can Front Thickness
Thickness of front container (cm).
Can Back Thickness
Thickness of back container (cm).
-Sample Angle
- Sample angle (degrees).
-
Cylinder
########
+.. warning:: This mode is only available on Windows
+
.. interface:: Data Analysis
- :widget: pageCylinder
+ :widget: pgCylinder
+
+The calculation for a cylindrical geometry is performed by the
+:ref:`CylinderPaalmanPingsCorrection <algm-CylinderPaalmanPingsCorrection>`
+algorithm, this algorithm is currently only available on Windows as it uses
+FORTRAN code dependant of F2Py.
-Radius 1
- Sample radius 1 (cm).
+Sample Inner Radius
+ Radius of the inner wall of the sample (cm).
-Radius 2
- Sample radius 2 (cm).
+Sample Outer Radius
+ Radius of the outer wall of the sample (cm).
-Can Radius
- Radius of inside of the container (cm).
+Container Outer Radius
+ Radius of outer wall of the container (cm).
+
+Beam Height
+ Height of incident beam (cm).
+
+Beam Width
+ Width of incident beam (cm).
Step Size
Step size used in calculation.
-Theory
-~~~~~~
+Background
+~~~~~~~~~~
The main correction to be applied to neutron scattering data is that for
absorption both in the sample and its container, when present. For flat plate
geometry, the corrections can be analytical and have been discussed for example
by Carlile [1]. The situation for cylindrical geometry is more complex and
requires numerical integration. These techniques are well known and used in
-liquid and amorphous diffraction, and are described in the ATLAS manual [2]. The
-routines used here have been developed from the corrections programs in the
-ATLAS suite and take into account the wavelength variation of both the
-absorption and the scattering cross-sections for the inelastic flight paths.
+liquid and amorphous diffraction, and are described in the ATLAS manual [2].
The absorption corrections use the formulism of Paalman and Pings [3] and
involve the attenuation factors :math:`A_{i,j}` where :math:`i` refers to
@@ -538,9 +541,7 @@ plus container. If the scattering cross sections for sample and container are
scattering from the empty container is :math:`I_{c} = \Sigma_{c}A_{c,c}` and
that from the sample plus container is :math:`I_{sc} = \Sigma_{s}A_{s,sc} +
\Sigma_{c}A_{c,sc}`, thus :math:`\Sigma_{s} = (I_{sc} - I_{c}A_{c,sc}/A_{c,c}) /
-A_{s,sc}`. In the package, the program Acorn calculates the attenuation
-coefficients :math:`A_{i,j}` and the routine Analyse uses them to calculate Σs
-which we identify with :math:`S(Q, \omega)`.
+A_{s,sc}`.
References:
@@ -558,12 +559,29 @@ Apply Corrections
The Apply Corrections tab applies the corrections calculated in the Calculate
Corrections tab of the Indirect Data Analysis interface.
-This tab will expect to find the ass file generated in the previous tab. If Use
-Can is selected, it will also expect the assc, acsc and acc files. It will take
-the run number from the sample file, and geometry from the option you select.
+This uses the :ref:`ApplyPaalmanPingsCorrection
+<algm-ApplyPaalmanPingsCorrection>` algorithm to apply absorption corrections in
+the form of the Paalman & Pings correction factors. When *Use Can* is disabled
+only the :math:`A_{s,s}` factor must be provided, when using a container the
+additional factors must be provided: :math:`A_{c,sc}`, :math:`A_{s,sc}` and
+:math:`A_{c,c}`.
Once run the corrected output and can correction is shown in the preview plot,
-the Spectrum spin box can be used to scroll through each spectrum.
+the Spectrum spin box can be used to scroll through each spectrum. Note that
+when this plot shows the result of a calculation the X axis is always in
+wavelength, however when data is initially selected the X axis unit matches that
+of the sample workspace.
+
+The input and container workspaces will be converted to wavelength (using
+:ref:`ConvertUnits <algm-ConvertUnits>`) if they do not already have wavelength
+as their X unit.
+
+The binning of the sample, container and corrections factor workspace must all
+match, if the sample and container do not match you will be given the option to
+rebin (using :ref:`RebinToWorkspace <algm-RebinToWorkspace>`) the sample to
+match the container, if the correction factors do not match you will be given
+the option to interpolate (:ref:`SplineInterpolation
+<algm-SplineInterpolation>`) the correction factor to match the sample.
Options
~~~~~~~
@@ -581,12 +599,14 @@ Use Can
either a reduced file (*_red.nxs*) or workspace (*_red*) or an :math:`S(Q,
\omega)` file (*_sqw.nxs*) or workspace (*_sqw*).
-Corrections File
- The output file (_Abs.nxs) or workspace group (_Abs) generated by Calculate
- Corrections.
+Scale Can by factor
+ Allows the container intensity to be scaled by a given scale factor before
+ being used in the corrections calculation.
-Verbose
- Enables outputting additional information to the Results Log.
+Use Corrections
+ The Paalman & Pings correction factors to use in the calculation, note that
+ the file or workspace name must end in either *_flt_abs* or *_cyl_abs* for the
+ flat plate and cylinder geometries respectively.
Plot Output
Gives the option to create either a spectra or contour plot (or both) of the