diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ForCE.ui b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ForCE.ui
index eac8f64c0c279f8f5fd0924a7586460d27a57ff8..e25182719751f196ed8df0c8ec7a29081dea630a 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ForCE.ui
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ForCE.ui
@@ -6,8 +6,8 @@
<rect>
<x>0</x>
<y>0</y>
- <width>722</width>
- <height>192</height>
+ <width>761</width>
+ <height>222</height>
</rect>
</property>
<property name="windowTitle">
@@ -105,40 +105,57 @@
</layout>
</item>
<item>
- <layout class="QHBoxLayout" name="horizontalLayout_8">
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_7">
- <item alignment="Qt::AlignHCenter">
- <widget class="QCheckBox" name="chkUseMap">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string>Use Map</string>
- </property>
- </widget>
- </item>
- </layout>
+ <layout class="QGridLayout" name="gridLayout">
+ <item row="0" column="0">
+ <widget class="QCheckBox" name="chkUseMap">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="text">
+ <string>Use Map</string>
+ </property>
+ </widget>
</item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_6">
- <item alignment="Qt::AlignHCenter">
- <widget class="QCheckBox" name="chkRejectZero">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="text">
- <string>Reject Zero</string>
- </property>
- </widget>
- </item>
- </layout>
+ <item row="0" column="1">
+ <widget class="MantidQt::MantidWidgets::MWRunFiles" name="mwMapFile">
+ <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="label" stdset="0">
+ <string>Map File:</string>
+ </property>
+ <property name="fileExtensions">
+ <stringlist>
+ <string>.map</string>
+ </stringlist>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_6">
+ <item alignment="Qt::AlignLeft">
+ <widget class="QCheckBox" name="chkRejectZero">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="text">
+ <string>Reject Zero</string>
+ </property>
+ </widget>
</item>
</layout>
</item>
@@ -191,12 +208,36 @@
</spacer>
</item>
<item>
- <widget class="QCheckBox" name="chkPlot">
+ <widget class="QLabel" name="lblPlot">
<property name="text">
- <string>Plot Result</string>
+ <string>Plot Result: </string>
</property>
</widget>
</item>
+ <item>
+ <widget class="QComboBox" name="cbPlot">
+ <item>
+ <property name="text">
+ <string>None</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Spectrum</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Contour</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Both</string>
+ </property>
+ </item>
+ </widget>
+ </item>
<item>
<spacer name="horizontalSpacer_18">
<property name="orientation">
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MolDyn.ui b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MolDyn.ui
index ba7c848b911307cfb4380380d6baec3fd6d937b4..c2d09ee0ab92c07a1fc58ad0c8ca5ce2cd099291 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MolDyn.ui
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MolDyn.ui
@@ -6,8 +6,8 @@
<rect>
<x>0</x>
<y>0</y>
- <width>629</width>
- <height>160</height>
+ <width>673</width>
+ <height>155</height>
</rect>
</property>
<property name="windowTitle">
@@ -102,12 +102,36 @@
</spacer>
</item>
<item>
- <widget class="QCheckBox" name="chkPlot">
+ <widget class="QLabel" name="lblPlot">
<property name="text">
- <string>Plot Result</string>
+ <string>Plot Result: </string>
</property>
</widget>
</item>
+ <item>
+ <widget class="QComboBox" name="cbPlot">
+ <item>
+ <property name="text">
+ <string>None</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Spectrum</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Contour</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Both</string>
+ </property>
+ </item>
+ </widget>
+ </item>
<item>
<spacer name="horizontalSpacer_18">
<property name="orientation">
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/ForCE.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/ForCE.cpp
index 5f7cfc0f7be0f2fdb14b407c1bc810c7f5889ec6..2c8331a466410d18ea955d38bfa9b17539dfdc67 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/ForCE.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/ForCE.cpp
@@ -18,6 +18,7 @@ namespace MantidQt
connect(m_uiForm.cbInstrument, SIGNAL(instrumentSelectionChanged(const QString&)), this, SLOT(instrumentChanged(const QString&)));
connect(m_uiForm.cbAnalyser, SIGNAL(currentIndexChanged(const QString&)), this, SLOT(analyserChanged(const QString&)));
connect(m_uiForm.mwRun, SIGNAL(filesFound()), this, SLOT(handleFilesFound()));
+ connect(m_uiForm.chkUseMap, SIGNAL(toggled(bool)), m_uiForm.mwMapFile, SLOT(setEnabled(bool)));
QString instrument = m_uiForm.cbInstrument->currentText();
instrumentChanged(instrument);
@@ -34,7 +35,7 @@ namespace MantidQt
QFileInfo finfo(filename);
QString ext = finfo.extension().toLower();
- if(ext != "asc" && ext != "inx") //using ascii files
+ if(ext != "asc" && ext != "inx")
{
emit showMessageBox("File is not of expected type:\n File type must be .asc or .inx");
return false;
@@ -51,7 +52,7 @@ namespace MantidQt
{
QString verbose("False");
QString plot("False");
- QString save("False");
+ QString save("None");
QString useMap("False");
QString rejectZero("False");
@@ -65,12 +66,15 @@ namespace MantidQt
QString reflection = m_uiForm.cbReflection->currentText();
if(m_uiForm.chkUseMap->isChecked()){ useMap ="True"; }
+ QString mapPath = m_uiForm.mwMapFile->getFirstFilename();
+
if(m_uiForm.chkRejectZero->isChecked()){ rejectZero ="True"; }
//output options
if(m_uiForm.chkVerbose->isChecked()){ verbose = "True"; }
- if(m_uiForm.chkPlot->isChecked()){ plot = "True"; }
- if(m_uiForm.chkSave->isChecked()){ save ="True"; }
+ if(m_uiForm.chkSave->isChecked()){ save = "True"; }
+ plot = m_uiForm.cbPlot->currentText();
+
QString pyFunc ("");
if(ext == "asc") //using ascii files
@@ -85,8 +89,8 @@ namespace MantidQt
QString pyInput =
"from IndirectForce import "+pyFunc+"\n";
- pyInput += pyFunc + "('"+instrument+"','"+filename+"','"+analyser+"','"+reflection+"',"+rejectZero+","+useMap+""
- ","+verbose+","+plot+","+save+")";
+ pyInput += pyFunc + "('"+instrument+"','"+filename+"','"+analyser+"','"+reflection+"',"+rejectZero+","+useMap+",'"+mapPath+"'"
+ ","+verbose+",'"+plot+"',"+save+")";
runPythonScript(pyInput);
}
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/MolDyn.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/MolDyn.cpp
index 44f6800715fd7b9d4254317625406643933ed935..62f473120aba21cb09cd47823bb1530a7b2bf362 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/MolDyn.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/MolDyn.cpp
@@ -1,5 +1,8 @@
#include "MantidQtCustomInterfaces/MolDyn.h"
+#include <QFileInfo>
+#include <QString>
+
namespace MantidQt
{
namespace CustomInterfaces
@@ -8,7 +11,6 @@ namespace MantidQt
IndirectForeignTab(parent)
{
m_uiForm.setupUi(parent);
-
}
/**
@@ -18,6 +20,15 @@ namespace MantidQt
*/
bool MolDyn::validate()
{
+ QString filename = m_uiForm.mwRun->getFirstFilename();
+ QFileInfo finfo(filename);
+ QString ext = finfo.extension().toLower();
+
+ if(ext != "dat" && ext != "cdl")
+ {
+ emit showMessageBox("File is not of expected type:\n File type must be .dat or .cdl");
+ return false;
+ }
return true;
}
@@ -32,8 +43,32 @@ namespace MantidQt
QString plot("False");
QString save("False");
+ QString filename = m_uiForm.mwRun->getFirstFilename();
+ QFileInfo finfo(filename);
+ QString ext = finfo.extension().toLower();
+
+ QString funcNames = m_uiForm.leFunctionNames->text();
+
+ //output options
+ if(m_uiForm.chkVerbose->isChecked()){ verbose = "True"; }
+ if(m_uiForm.chkSave->isChecked()){ save ="True"; }
+ plot = m_uiForm.cbPlot->currentText();
+
+
QString pyInput =
- "from IndirectBayes import MolDynRun\n";
+ "from MolDynTransfer import ";
+
+ QString pyFunc("");
+ if(ext == "dat")
+ {
+ pyFunc = "MolDynText";
+ pyInput += pyFunc + "\n" + pyFunc + "('"+filename+"',"+verbose+",'"+plot+"',"+save+")";
+ }
+ else if (ext == "cdl")
+ {
+ pyFunc = "MolDynImport";
+ pyInput += pyFunc + "\n" + pyFunc + "('"+filename+"','"+funcNames+"',"+verbose+",'"+plot+"',"+save+")";
+ }
runPythonScript(pyInput);
}
diff --git a/Code/Mantid/instrument/IN13_Definition_xml b/Code/Mantid/instrument/IN13_Definition_xml
new file mode 100644
index 0000000000000000000000000000000000000000..c71a274ab9f5ddbae2453832aa66881ba543f8ab
--- /dev/null
+++ b/Code/Mantid/instrument/IN13_Definition_xml
@@ -0,0 +1,104 @@
+<?xml version="1.0" encoding="UTF-8" ?>
+<!-- For help on the notation used to specify an Instrument Definition File
+ see http://www.mantidproject.org/IDF -->
+<instrument name="IN13" valid-from ="1900-01-31 23:59:59"
+ valid-to ="2100-01-31 23:59:59"
+ last-modified="2010-10-07 00:00:00">
+<!-- modified by FD 7/10/2010 -->
+
+<defaults>
+ <length unit="meter" />
+ <angle unit="degree" />
+ <reference-frame>
+ <along-beam axis="z" />
+ <pointing-up axis="y" />
+ <handedness val="right" />
+ </reference-frame>
+ <offsets spherical="delta" />
+</defaults>
+
+<!-- LIST OF PHYSICAL COMPONENTS (which the instrument consists of) -->
+
+<!-- source and sample-position components -->
+
+<component type="moderator">
+ <location z="-36.41" />
+</component>
+
+<type name="moderator" is="Source">
+ <properties />
+</type>
+
+<component type="sample">
+ <location z="0.0" />
+</component>
+
+<type name="sample" is="SamplePos">
+ <cuboid id="shape">
+ <left-front-bottom-point x="0.02" y="-0.02" z="0.0" />
+ <left-front-top-point x="0.02" y="-0.02" z="0.02" />
+ <left-back-bottom-point x="-0.02" y="-0.02" z="0.0" />
+ <right-front-bottom-point x="0.02" y="0.02" z="0.0" />
+ </cuboid>
+ <algebra val="shape" />
+</type>
+
+<!-- LIST OF DETECTORS AND MONITORS -->
+
+<!-- monitor components -->
+
+ <component type="monitor1" idlist="monitor1">
+ <location z="-0.335" />
+ </component>
+
+ <type name="monitor1" is="monitor">
+ <percent-transparency val="99.9" />
+ <cuboid id="shape">
+ <left-front-bottom-point x="0.0125" y="-0.0125" z="0.0" />
+ <left-front-top-point x="0.0125" y="-0.0125" z="0.005" />
+ <left-back-bottom-point x="-0.0125" y="-0.0125" z="0.0" />
+ <right-front-bottom-point x="0.0125" y="0.0125" z="0.0" />
+ </cuboid>
+ <algebra val="shape" />
+ </type>
+
+ <idlist idname="monitor1">
+ <id val="8" />
+ </idlist>
+
+<!-- detector components -->
+
+<component type="CaF" idlist="CaF">
+ <properties />
+ <parameter name="Efixed"> <value val="16.45" /> </parameter>
+ <parameter name="efixed-val"> <value val="16.45" /></parameter>
+ <location />
+</component>
+
+<type name="CaF">
+ <component type="pix1">
+ <location r="1.45" t="27.07" p="0" name="S1" />
+ <location r="1.45" t="29.70" p="0" name="S2" />
+ <location r="1.45" t="32.32" p="0" name="S3" />
+ <location r="1.45" t="34.95" p="0" name="S4" />
+ <location r="1.45" t="37.58" p="0" name="S5" />
+ <location r="1.45" t="40.21" p="0" name="S6" />
+ <location r="1.45" t="42.83" p="0" name="S7" />
+ </component>
+</type>
+
+<idlist idname="CaF">
+ <id start="1" end="7" />
+</idlist>
+
+<type name="pix1" is="detector">
+ <cuboid id="app-shape">
+ <left-front-bottom-point x="0.005" y="-0.1" z="0.0" />
+ <left-front-top-point x="0.005" y="-0.1" z="0.0002" />
+ <left-back-bottom-point x="-0.005" y="-0.1" z="0.0" />
+ <right-front-bottom-point x="0.005" y="0.1" z="0.0" />
+ </cuboid>
+ <algebra val="app-shape" />
+</type>
+
+</instrument>
diff --git a/Code/Mantid/instrument/MolDyn_Definition.xml b/Code/Mantid/instrument/MolDyn_Definition.xml
new file mode 100644
index 0000000000000000000000000000000000000000..cb970c936f67867e045ab2b2cf4dab50b832e9dc
--- /dev/null
+++ b/Code/Mantid/instrument/MolDyn_Definition.xml
@@ -0,0 +1,105 @@
+<?xml version="1.0" encoding="UTF-8" ?>
+<!-- For help on the notation used to specify an Instrument Definition File
+ see http://www.mantidproject.org/IDF -->
+<instrument name="MolDyn" valid-from ="1900-01-31 23:59:59"
+ valid-to ="2100-01-31 23:59:59"
+ last-modified="2010-10-07 00:00:00">
+<!-- modified by FD 7/10/2010 -->
+
+<defaults>
+ <length unit="meter" />
+ <angle unit="degree" />
+ <reference-frame>
+ <along-beam axis="z" />
+ <pointing-up axis="y" />
+ <handedness val="right" />
+ </reference-frame>
+ <offsets spherical="delta" />
+</defaults>
+
+<!-- LIST OF PHYSICAL COMPONENTS (which the instrument consists of) -->
+
+<!-- source and sample-position components -->
+
+<component type="moderator">
+ <location z="-36.41" />
+</component>
+
+<type name="moderator" is="Source">
+ <properties />
+</type>
+
+<component type="sample">
+ <location z="0.0" />
+</component>
+
+<type name="sample" is="SamplePos">
+ <cuboid id="shape">
+ <left-front-bottom-point x="0.02" y="-0.02" z="0.0" />
+ <left-front-top-point x="0.02" y="-0.02" z="0.02" />
+ <left-back-bottom-point x="-0.02" y="-0.02" z="0.0" />
+ <right-front-bottom-point x="0.02" y="0.02" z="0.0" />
+ </cuboid>
+ <algebra val="shape" />
+</type>
+
+<!-- LIST OF DETECTORS AND MONITORS -->
+
+
+<!-- detector components -->
+
+<component type="simul" idlist="simul">
+ <properties />
+ <parameter name="Efixed"> <value val="2.08" /> </parameter>
+ <parameter name="efixed-val"> <value val="2.08" /></parameter>
+ <location />
+</component>
+
+<type name="simul">
+ <component type="pix1">
+ <location r="1.45" t="25.0" p="0" name="S1" />
+ <location r="1.45" t="31.5" p="0" name="S2" />
+ <location r="1.45" t="38.0" p="0" name="S3" />
+ <location r="1.45" t="44.5" p="0" name="S4" />
+ <location r="1.45" t="51.8" p="0" name="S5" />
+ <location r="1.45" t="57.5" p="0" name="S6" />
+ <location r="1.45" t="64.0" p="0" name="S7" />
+ <location r="1.45" t="70.5" p="0" name="S8" />
+ <location r="1.45" t="77.0" p="0" name="S9" />
+ <location r="1.45" t="83.5" p="0" name="S10" />
+ <location r="1.45" t="90.0" p="0" name="S11" />
+ <location r="1.45" t="96.5" p="0" name="S12" />
+ <location r="1.45" t="103.0" p="0" name="S13" />
+ <location r="1.45" t="109.5" p="0" name="S14" />
+ <location r="1.45" t="116.0" p="0" name="S15" />
+ <location r="1.45" t="122.5" p="0" name="S16" />
+ <location r="1.45" t="129.0" p="0" name="S17" />
+ <location r="1.45" t="135.5" p="0" name="S18" />
+ <location r="1.45" t="142.0" p="0" name="S19" />
+ <location r="1.45" t="148.5" p="0" name="S20" />
+ <location r="1.45" t="0.0" p="0" name="S21" />
+ <location r="1.45" t="0.0" p="0" name="S22" />
+ <location r="1.45" t="10.96" p="0" name="S23" />
+ <location r="1.45" t="16.8" p="0" name="S24" />
+ <location r="1.45" t="0.0" p="0" name="S25" />
+ <location r="1.45" t="0.0" p="0" name="S26" />
+ <location r="1.45" t="0.0" p="0" name="S27" />
+ <location r="1.45" t="0.0" p="0" name="S28" />
+ </component>
+</type>
+
+<idlist idname="simul">
+ <id start="1" end="28" />
+</idlist>
+
+<type name="pix1" is="detector">
+ <cuboid id="app-shape">
+ <left-front-bottom-point x="0.005" y="-0.1" z="0.0" />
+ <left-front-top-point x="0.005" y="-0.1" z="0.0002" />
+ <left-back-bottom-point x="-0.005" y="-0.1" z="0.0" />
+ <right-front-bottom-point x="0.005" y="0.1" z="0.0" />
+ </cuboid>
+ <algebra val="app-shape" />
+</type>
+
+</instrument>
diff --git a/Code/Mantid/instrument/MolDyn_qmax_2_Parameters.xml b/Code/Mantid/instrument/MolDyn_qmax_2_Parameters.xml
new file mode 100644
index 0000000000000000000000000000000000000000..c131aac36c6e4436858e0d130eccc8e6cce53ebf
--- /dev/null
+++ b/Code/Mantid/instrument/MolDyn_qmax_2_Parameters.xml
@@ -0,0 +1,28 @@
+<?xml version="1.0" encoding="UTF-8" ?>
+<parameter-file instrument = "MolDyn" date = "2010-07-15T00:00:00">
+
+<component-link name = "MolDyn">
+
+<parameter name="analysis-type" type="string">
+ <value val="spectroscopy" />
+</parameter>
+
+<parameter name="efixed-val">
+ <value val="1.8450" />
+</parameter>
+
+<component-link name="simul">
+<parameter name="Efixed"> <value val="1.8450" /> </parameter>
+</component-link>
+
+<parameter name="analyser" type="string">
+ <value val="qmax" />
+</parameter>
+
+<parameter name="reflection" type="string">
+ <value val="2" />
+</parameter>
+
+</component-link>
+
+</parameter-file>
\ No newline at end of file
diff --git a/Code/Mantid/instrument/MolDyn_qmax_4_Parameters.xml b/Code/Mantid/instrument/MolDyn_qmax_4_Parameters.xml
new file mode 100644
index 0000000000000000000000000000000000000000..5bfedeb4eedc965972610c423568d7e9119bcee0
--- /dev/null
+++ b/Code/Mantid/instrument/MolDyn_qmax_4_Parameters.xml
@@ -0,0 +1,28 @@
+<?xml version="1.0" encoding="UTF-8" ?>
+<parameter-file instrument = "MolDyn" date = "2010-07-15T00:00:00">
+
+<component-link name = "MolDyn">
+
+<parameter name="analysis-type" type="string">
+ <value val="spectroscopy" />
+</parameter>
+
+<parameter name="efixed-val">
+ <value val="7.3812" />
+</parameter>
+
+<component-link name="simul">
+<parameter name="Efixed"> <value val="7.3812" /> </parameter>
+</component-link>
+
+<parameter name="analyser" type="string">
+ <value val="qmax" />
+</parameter>
+
+<parameter name="reflection" type="string">
+ <value val="4" />
+</parameter>
+
+</component-link>
+
+</parameter-file>
\ No newline at end of file
diff --git a/Code/Mantid/scripts/Inelastic/IndirectForce.py b/Code/Mantid/scripts/Inelastic/IndirectForce.py
index 3983d066b251c0e84653a420a84306027322acf4..de8e86123b6d8af19be849bd00296302ffbd2715 100644
--- a/Code/Mantid/scripts/Inelastic/IndirectForce.py
+++ b/Code/Mantid/scripts/Inelastic/IndirectForce.py
@@ -106,7 +106,7 @@ def getFilePath(run,ext,intr):
fname = instr + "_" + run
if path:
- return asc, fname
+ return path, fname
else:
error = 'ERROR *** Could not find ' + ext + ' file'
sys.exit(error)
@@ -126,14 +126,15 @@ def loadFile(path):
error = 'ERROR *** Could not load ' + path
sys.exit(error)
-def IbackStart(instr,run,ana,refl,rejectZ,useM,Verbose,Plot,Save): #Ascii start routine
+def IbackStart(instr,run,ana,refl,rejectZ,useM,mapPath,Verbose,Plot,Save): #Ascii start routine
StartTime('Iback')
workdir = config['defaultsave.directory']
if Verbose:
logger.notice('Reading file : ' + path)
- asc, fname = getFilePath(run, '.asc', instr)
+ path, fname = getFilePath(run, '.asc', instr)
+ asc = loadFile(path)
lasc = len(asc)
# raw head
@@ -246,7 +247,7 @@ def IbackStart(instr,run,ana,refl,rejectZ,useM,Verbose,Plot,Save): #Ascii s
efixed = RunParas(ascWS,instr,run,title,Verbose)
ChangeAngles(ascWS,instr,theta,Verbose)
if useM:
- map = ReadMap(instr,Verbose)
+ map = ReadMap(mapPath,Verbose)
UseMap(ascWS,map,Verbose)
if rejectZ:
RejectZero(ascWS,tot,Verbose)
@@ -279,11 +280,12 @@ def ReadInxGroup(asc,n,lgrp): # read ascii x,y,e
npt = len(x)
return Q,npt,x,y,e #values of x,y,e as lists
-def InxStart(instr,run,ana,refl,rejectZ,useM,Verbose,Plot,Save):
+def InxStart(instr,run,ana,refl,rejectZ,useM,mapPath,Verbose,Plot,Save):
StartTime('Inx')
workdir = config['defaultsave.directory']
- asc, fname = getFilePath(run, '.inx', instr)
+ path, fname = getFilePath(run, '.inx', instr)
+ asc = loadFile(path)
lasc = len(asc)
val = ExtractInt(asc[0])
@@ -336,7 +338,7 @@ def InxStart(instr,run,ana,refl,rejectZ,useM,Verbose,Plot,Save):
theta.append(ang)
ChangeAngles(ascWS,instr,theta,Verbose)
if useM:
- map = ReadMap(instr,Verbose)
+ map = ReadMap(mapPath,Verbose)
UseMap(ascWS,map,Verbose)
if rejectZ:
RejectZero(ascWS,tot,Verbose)
@@ -370,11 +372,10 @@ def RejectZero(inWS,tot,Verbose):
if Verbose:
logger.notice('** spectrum '+str(n+1)+' rejected')
-def ReadMap(instr,Verbose):
+def ReadMap(path,Verbose):
workdir = config['defaultsave.directory']
- path = FileFinder.getFullPath(instr + "_map.asc")
- asc, fname = loadFile(path)
+ asc = loadFile(path)
lasc = len(asc)
if Verbose:
diff --git a/Code/Mantid/scripts/Inelastic/MolDynTransfer.py b/Code/Mantid/scripts/Inelastic/MolDynTransfer.py
index 85e379b7eaee4b2ae7d37fa8397ed36a3bc62b46..0ecbc9942feb6bfe672a2344c359525c96db6f69 100644
--- a/Code/Mantid/scripts/Inelastic/MolDynTransfer.py
+++ b/Code/Mantid/scripts/Inelastic/MolDynTransfer.py
@@ -74,21 +74,38 @@ def MakeList(a,l1,l2):
alist = asc.split(',')
return alist
-def MolDynImport(file,functions,Verbose,Plot,Save): #Ascii start routine
+# Load an dat/cdl file
+def loadFile(path):
+ try:
+ handle = open(path, 'r')
+ asc = []
+ for line in handle:
+ line = line.rstrip()
+ asc.append(line)
+ handle.close()
+
+ return asc
+ except:
+ error = 'ERROR *** Could not load ' + path
+ sys.exit(error)
+
+def MolDynImport(fname,functions,Verbose,Plot,Save): #Ascii start routine
StartTime('MolDynImport')
workdir = config['defaultsave.directory']
- filext = file + '.cdl'
- path = os.path.join(workdir, filext)
+
+ functions = functions.split(',')
+
+ path = fname
+ base = os.path.basename(path)
+ fname = os.path.splitext(base)[0]
+
if Verbose:
logger.notice('Functions : '+str(functions))
logger.notice('Reading file : ' + path)
- handle = open(path, 'r')
- asc = []
- for line in handle:
- line = line.rstrip()
- asc.append(line)
- handle.close()
+
+ asc = loadFile(path)
lasc = len(asc)
+
# raw head
nQ,nT,nF = FindDimensions(asc,Verbose)
ldata = FindStarts(asc,'data:',0)
@@ -145,11 +162,15 @@ def MolDynImport(file,functions,Verbose,Plot,Save): #Ascii start routine
xEn = np.array(T)
eZero = np.zeros(nT)
xUnit = 'TOF'
- if func[:3] == 'Sqw':
+ elif func[:3] == 'Sqw':
nP = nF
xEn = np.array(F)
eZero = np.zeros(nF)
xUnit = 'Energy'
+ else:
+ error = "ERROR *** Failed to parse function string" + func
+ sys.exit(error)
+
for n in range(0,nQ):
for m in range(lstart,lasc):
char = asc[m]
@@ -186,7 +207,7 @@ def MolDynImport(file,functions,Verbose,Plot,Save): #Ascii start routine
xDat = np.append(xDat,xEn)
yDat = np.append(yDat,np.array(S))
eDat = np.append(eDat,eZero)
- outWS = file+'_'+func
+ outWS = fname+'_'+func
CreateWorkspace(OutputWorkspace=outWS, DataX=xDat, DataY=yDat, DataE=eDat,
Nspec=nQ, UnitX=xUnit, VerticalAxisUnit='MomentumTransfer', VerticalAxisValues=Qaxis)
if Save:
@@ -210,20 +231,20 @@ def plotMolDyn(inWS,Plot):
if (Plot == 'Contour' or Plot == 'Both'):
cont_plot=mp.importMatrixWorkspace(inWS).plotGraph2D()
-def MolDynText(file,Verbose,Plot,Save): #Ascii start routine
+def MolDynText(fname,Verbose,Plot,Save): #Ascii start routine
StartTime('MolDynAscii')
workdir = config['defaultsave.directory']
- filext = file + '.dat'
- path = os.path.join(workdir, filext)
+
+ path = fname
+ base = os.path.basename(path)
+ fname = os.path.splitext(base)[0]
+
if Verbose:
logger.notice('Reading file : ' + path)
- handle = open(path, 'r')
- asc = []
- for line in handle:
- line = line.rstrip()
- asc.append(line)
- handle.close()
+
+ asc = loadFile(path)
lasc = len(asc)
+
val = SplitLine(asc[3])
Q = []
for n in range(1,len(val)):
@@ -259,7 +280,7 @@ def MolDynText(file,Verbose,Plot,Save): #Ascii start routine
xDat = np.append(xDat,xT)
yDat = np.append(yDat,np.array(S))
eDat = np.append(eDat,eZero)
- outWS = file + '_iqt'
+ outWS = fname + '_iqt'
CreateWorkspace(OutputWorkspace=outWS, DataX=xDat, DataY=yDat, DataE=eDat,
Nspec=nQ, UnitX='TOF')
# Nspec=nQ, UnitX='TOF', VerticalAxisUnit='MomentumTransfer', VerticalAxisValues=Qaxis)
@@ -271,7 +292,7 @@ def MolDynText(file,Verbose,Plot,Save): #Ascii start routine
else:
refl = '4'
InstrParas(outWS,instr,ana,refl)
- efixed = RunParas(outWS,instr,file,file,Verbose)
+ efixed = RunParas(outWS,instr,fname,fname,Verbose)
if Verbose:
logger.notice('Qmax = '+str(Qmax)+' ; efixed = '+str(efixed))
pi4 = 4.0*math.pi