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Move ConvertToEnergy python code to new API.
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Includes Indirect.cpp helper class.
Refs #7468
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@martyngigg
martyngigg committed Jul 18, 2013
1 parent 7052b11 commit 693c41f
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Showing 2 changed files with 27 additions and 30 deletions.
7 changes: 3 additions & 4 deletions Code/Mantid/MantidQt/CustomInterfaces/src/ConvertToEnergy.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -245,11 +245,10 @@ void ConvertToEnergy::instrumentSelectChanged(const QString& name)
ConvertToEnergy::DeltaEMode ConvertToEnergy::instrumentDeltaEMode(const QString& defFile)
{
QString pyInput =
"from mantidsimple import *\n"
"import sys\n"
"from mantid.simpleapi import LoadEmptyInstrument,mtd\n"
"ws_name = '__empty_%2'\n"
"if not mtd.workspaceExists(ws_name):\n"
" LoadEmptyInstrument(r'%1', ws_name)\n"
"if not mtd.doesExist(ws_name):\n"
" LoadEmptyInstrument(Filename=r'%1', OutputWorkspace=ws_name)\n"
"instrument = mtd[ws_name].getInstrument()\n"
"try:\n"
" print instrument.getStringParameter('deltaE-mode')[0]\n"
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50 changes: 24 additions & 26 deletions Code/Mantid/MantidQt/CustomInterfaces/src/Indirect.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -1333,20 +1333,20 @@ void Indirect::plotRaw()
}

QString pyInput =
"from mantidsimple import *\n"
"from mantidplot import *\n"
"from mantid.simpleapi import FlatBackground,GroupDetectors,Load\n"
"from mantidplot import plotSpectrum\n"
"import os.path as op\n"
"file = r'" + rawFile + "'\n"
"name = op.splitext( op.split(file)[1] )[0]\n"
"bgrange = " + bgrange + "\n"
"Load(file, name, SpectrumMin="+specList[0]+", SpectrumMax="+specList[1]+")\n"
"Load(Filename=file, OutputWorkspace=name, SpectrumMin="+specList[0]+", SpectrumMax="+specList[1]+")\n"
"if ( bgrange != [-1, -1] ):\n"
" #Remove background\n"
" FlatBackground(name, name+'_bg', bgrange[0], bgrange[1], Mode='Mean')\n"
" GroupDetectors(name+'_bg', name+'_grp', DetectorList=range("+specList[0]+","+specList[1]+"+1))\n"
" GroupDetectors(name, name+'_grp_raw', DetectorList=range("+specList[0]+","+specList[1]+"+1))\n"
" FlatBackground(InputWorkspace=name, OutputWorkspace=name+'_bg', StartX=bgrange[0], EndX=bgrange[1], Mode='Mean')\n"
" GroupDetectors(InputWorkspace=name+'_bg', OutputWorkspace=name+'_grp', DetectorList=range("+specList[0]+","+specList[1]+"+1))\n"
" GroupDetectors(InputWorkspace=name, OutputWorkspace=name+'_grp_raw', DetectorList=range("+specList[0]+","+specList[1]+"+1))\n"
"else: # Just group detectors as they are\n"
" GroupDetectors(name, name+'_grp', DetectorList=range("+specList[0]+","+specList[1]+"+1))\n"
" GroupDetectors(InputWorkspace=name, OutputWorkspace=name+'_grp', DetectorList=range("+specList[0]+","+specList[1]+"+1))\n"
"graph = plotSpectrum(name+'_grp', 0)\n";

QString pyOutput = runPythonCode(pyInput).trimmed();
Expand Down Expand Up @@ -1439,7 +1439,7 @@ void Indirect::calibCreate()
{
QString filenames = "[r'"+m_uiForm.cal_leRunNo->getFilenames().join("', r'")+"']";

QString reducer = "from mantidsimple import *\n"
QString reducer = "from mantid.simpleapi import SaveNexus\n"
"from inelastic_indirect_reduction_steps import CreateCalibrationWorkspace\n"
"calib = CreateCalibrationWorkspace()\n"
"calib.set_files(" + filenames + ")\n"
Expand All @@ -1453,11 +1453,11 @@ void Indirect::calibCreate()
"calib.execute(None, None)\n"
"result = calib.result_workspace()\n"
"print result\n"
"SaveNexus(result, result+'.nxs')\n";
"SaveNexus(InputWorkspace=result, Filename=result+'.nxs')\n";

if ( m_uiForm.cal_ckPlotResult->isChecked() )
{
reducer += "from mantidplot import *\n"
reducer += "from mantidplot import plotTimeBin\n"
"plotTimeBin(result, 0)\n";
}

Expand Down Expand Up @@ -1506,12 +1506,10 @@ void Indirect::calPlotRaw()

QFileInfo fi(filename);
QString wsname = fi.baseName();
QString pyInput = "Load(r'" + filename + "', '" + wsname + "', SpectrumMin="
QString pyInput = "Load(Filename=r'" + filename + "', OutputWorkspace='" + wsname + "', SpectrumMin="
+ m_uiForm.leSpectraMin->text() + ", SpectrumMax="
+ m_uiForm.leSpectraMax->text() + ")\n";

std::cout << "Indirect::calPlotRaw() calling: " << pyInput.toStdString() << std::endl;

pyInput = "try:\n " +
pyInput +
"except ValueError as ve:" +
Expand Down Expand Up @@ -1648,15 +1646,15 @@ void Indirect::sOfQwClicked()
if ( validateSofQw() )
{
QString rebinString = m_uiForm.sqw_leQLow->text()+","+m_uiForm.sqw_leQWidth->text()+","+m_uiForm.sqw_leQHigh->text();
QString pyInput = "from mantidsimple import *\n";
QString pyInput = "from mantid.simpleapi import *\n";

if ( m_uiForm.sqw_cbInput->currentText() == "File" )
{
pyInput +=
"filename = r'" +m_uiForm.sqw_inputFile->getFirstFilename() + "'\n"
"(dir, file) = os.path.split(filename)\n"
"(sqwInput, ext) = os.path.splitext(file)\n"
"LoadNexus(filename, sqwInput)\n"
"LoadNexus(Filename=filename, OutputWorkspace=sqwInput)\n"
"cleanup = True\n";
}
else
Expand All @@ -1672,9 +1670,9 @@ void Indirect::sOfQwClicked()
if ( m_uiForm.sqw_ckRebinE->isChecked() )
{
QString eRebinString = m_uiForm.sqw_leELow->text()+","+m_uiForm.sqw_leEWidth->text()+","+m_uiForm.sqw_leEHigh->text();
pyInput += "Rebin(sqwInput, sqwInput+'_r', '" + eRebinString + "')\n"
pyInput += "Rebin(InputWorkspace=sqwInput, OutputWorkspace=sqwInput+'_r', Params='" + eRebinString + "')\n"
"if cleanup:\n"
" mantid.deleteWorkspace(sqwInput)\n"
" DeleteWorkspace(sqwInput)\n"
"sqwInput += '_r'\n"
"cleanup = True\n";
}
Expand All @@ -1683,19 +1681,19 @@ void Indirect::sOfQwClicked()
"rebin = '" + rebinString + "'\n";

if(m_uiForm.sqw_cbRebinType->currentText() == "Centre (SofQW)")
pyInput += "SofQW(sqwInput, sqwOutput, rebin, 'Indirect', EFixed=efixed)\n";
pyInput += "SofQW(InputWorkspace=sqwInput, OutputWorkspace=sqwOutput, QAxisBinning=rebin, EMode='Indirect', EFixed=efixed)\n";
else if(m_uiForm.sqw_cbRebinType->currentText() == "Parallelepiped (SofQW2)")
pyInput += "SofQW2(sqwInput, sqwOutput, rebin, 'Indirect', EFixed=efixed)\n";
pyInput += "SofQW2(InputWorkspace=sqwInput, OutputWorkspace=sqwOutput, QAxisBinning=rebin, EMode='Indirect', EFixed=efixed)\n";
else if(m_uiForm.sqw_cbRebinType->currentText() == "Parallelepiped/Fractional Area (SofQW3)")
pyInput += "SofQW3(sqwInput, sqwOutput, rebin, 'Indirect', EFixed=efixed)\n";
pyInput += "SofQW3(InputWorkspace=sqwInput, OutputWorkspace=sqwOutput, QAxisBinning=rebin, EMode='Indirect', EFixed=efixed)\n";

pyInput +=
"if cleanup:\n"
" mantid.deleteWorkspace(sqwInput)\n";
" DeleteWorkspace(sqwInput)\n";

if ( m_uiForm.sqw_ckSave->isChecked() )
{
pyInput += "SaveNexus(sqwOutput, sqwOutput+'.nxs')\n";
pyInput += "SaveNexus(InputWorkspace=sqwOutput, Filename=sqwOutput+'.nxs')\n";
}

if ( m_uiForm.sqw_cbPlotType->currentText() == "Contour" )
Expand Down Expand Up @@ -1751,7 +1749,7 @@ void Indirect::sOfQwInputType(const QString& input)

void Indirect::sOfQwPlotInput()
{
QString pyInput = "from mantidsimple import *\n"
QString pyInput = "from mantid.simpleapi import *\n"
"from mantidplot import *\n";

//...
Expand All @@ -1764,7 +1762,7 @@ void Indirect::sOfQwPlotInput()
"filename = r'" + m_uiForm.sqw_inputFile->getFirstFilename() + "'\n"
"(dir, file) = os.path.split(filename)\n"
"(input, ext) = os.path.splitext(file)\n"
"LoadNexus(filename, input)\n";
"LoadNexus(Filename=filename, OutputWorkspace=input)\n";
}
else
{
Expand All @@ -1777,7 +1775,7 @@ void Indirect::sOfQwPlotInput()
pyInput += "input = '" + m_uiForm.sqw_cbWorkspace->currentText() + "'\n";
}

pyInput += "ConvertSpectrumAxis(input, input+'_q', 'MomentumTransfer', 'Indirect')\n"
pyInput += "ConvertSpectrumAxis(InputWorkspace=input, OutputWorkspace=input+'_q', Target='ElasticQ', EMode='Indirect')\n"
"ws = importMatrixWorkspace(input+'_q')\n"
"ws.plotGraph2D()\n";

Expand Down Expand Up @@ -1849,7 +1847,7 @@ void Indirect::slicePlotRaw()
QFileInfo fi(filename);
QString wsname = fi.baseName();

QString pyInput = "Load(r'" + filename + "', '" + wsname + "', SpectrumMin="
QString pyInput = "Load(Filename=r'" + filename + "', OutputWorkspace='" + wsname + "', SpectrumMin="
+ m_uiForm.leSpectraMin->text() + ", SpectrumMax="
+ m_uiForm.leSpectraMax->text() + ")\n";

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