Peak Reports PDFs

[Owen Arnold]

Implementing #8381 actually puts everything in place for long standing ISIS SCD requirment. That is to be able to generate PDF peak reports.

Use the reportlab pdf generating library to create reports. Would be nice to have this as a separate module in CrystalTools.

[Owen Arnold]

Tester:

using pips install PIL and reportlab first. You may want to set up a virtual environment for these.

Add this script (may need a little modification) to the end o the SXD_NaCl.py script in the mantid script directory

import CrystalTools.PeakReport 
from PyQt4 import QtGui
reload(CrystalTools.PeakReport)
peakReport = CrystalTools.PeakReport.PeakReport("/Users/spu92482/Desktop/animation/")
peakReport.set_log_scale(True)
peakReport.set_background_color(QtGui.QColor(255, 255,255,255))
peakReport.set_show_background(True)
peakReport.set_foreground_color(QtGui.QColor(0, 0,0,255))
peakReport.make_report(QLab, peaks_qLab_Integrated)

After running the script you should get a pdf generated similar to the one attached to this ticket.

[Owen Arnold]

refs #8428. Reporting module created.

Changeset: 43d979110c905cf9affdf2d9f1953a901a2c624f

[Owen Arnold]

refs #8428. Loop over entire pks wksp.

Changeset: 258ddad358d45c5883b4e0ac0661ccb240b93d32

[Martyn Gigg]

This runs & creates the PDF with the expected information in it. On windows though there is an error when trying to delete the final image. All of the other 298 png files are able to be deleted but the final 299th causes a file-access error.

I have written a cutdown version of the script that only has 1 peak so that the failure happens quicker. I think it might be worth looking into this quickly to see if it can be solved easily. If not then we can put it in and create another ticket for the windows issue.

import PyQt4.QtGui
qLab = CreateMDWorkspace(Dimensions='3',EventType='MDEvent',Extents='-10,10,-10,10,-10,10',Names='Q_lab_x,Q_lab_y,Q_lab_z',Units='A,B,C')
FakeMDEventData(InputWorkspace=qLab, PeakParams=[1000, 1, 1, 1, 1])
#qLab = BinMD(InputWorkspace=qLab, AxisAligned=True, AlignedDim0="Q_lab_x,-10,10,100", AlignedDim1="Q_lab_y,-10,10,100", AlignedDim2="Q_lab_z,-10,10,100", IterateEvents="1", Parallel="0")
SetSpecialCoordinates(qLab, 'Q (lab frame)')

pathToInstrument = os.path.join(config["instrumentDefinition.directory"], 'CRISP_Definition.xml') # Note that the instrument doesn't matter. Choose a small one.
instWS = LoadEmptyInstrument(Filename=pathToInstrument) # Only do this so that we can provide the parameter to CreatePeaksWorkspace
pw = CreatePeaksWorkspace(InstrumentWorkspace=instWS, NumberOfPeaks=1)

peak = pw.getPeak(0)
peak.setQLabFrame(V3D(1, 1, 1), 1)

peaks_qLab_Integrated = IntegratePeaksMD(InputWorkspace=qLab, PeaksWorkspace=pw, PeakRadius=0.2, BackgroundInnerRadius=0.3, BackgroundOuterRadius=0.4)


import CrystalTools.PeakReport 
from PyQt4 import QtGui

peakReport = CrystalTools.PeakReport.PeakReport("C:/Users/dmn58364/Desktop/animation/")
peakReport.set_log_scale(True)
peakReport.set_background_color(QtGui.QColor(255, 255,255,255))
peakReport.set_show_background(True)
peakReport.set_foreground_color(QtGui.QColor(0, 0,0,255))
peakReport.make_report(qLab, peaks_qLab_Integrated)

[Owen Arnold]

refs #8428. Move cleanup to separate method.

Changeset: d9144eecbd79468139f3f5b099d4a4047c098380

[Owen Arnold]

Move cleanup. Gives the opportunity to either call it via a separate method, or wait for the destructor to be called. This seems to solve the locking issue.

Modified version of above for testing:

import PyQt4.QtGui
qLab = CreateMDWorkspace(Dimensions='3',EventType='MDEvent',Extents='-10,10,-10,10,-10,10',Names='Q_lab_x,Q_lab_y,Q_lab_z',Units='A,B,C')
FakeMDEventData(InputWorkspace=qLab, PeakParams=[1000, 1, 1, 1, 1])
#qLab = BinMD(InputWorkspace=qLab, AxisAligned=True, AlignedDim0="Q_lab_x,-10,10,100", AlignedDim1="Q_lab_y,-10,10,100", AlignedDim2="Q_lab_z,-10,10,100", IterateEvents="1", Parallel="0")
SetSpecialCoordinates(qLab, 'Q (lab frame)')

pathToInstrument = os.path.join(config["instrumentDefinition.directory"], 'CRISP_Definition.xml') # Note that the instrument doesn't matter. Choose a small one.
instWS = LoadEmptyInstrument(Filename=pathToInstrument) # Only do this so that we can provide the parameter to CreatePeaksWorkspace
pw = CreatePeaksWorkspace(InstrumentWorkspace=instWS, NumberOfPeaks=1)

peak = pw.getPeak(0)
peak.setQLabFrame(V3D(1, 1, 1), 1)

peaks_qLab_Integrated = IntegratePeaksMD(InputWorkspace=qLab, PeaksWorkspace=pw, PeakRadius=0.2, BackgroundInnerRadius=0.3, BackgroundOuterRadius=0.4)

def doreport():
        
        import CrystalTools.PeakReport 
        from PyQt4 import QtGui
        reload(CrystalTools.PeakReport)
        peakReport = CrystalTools.PeakReport.PeakReport("C:/Users/spu92482/Desktop/animation/")
        peakReport.set_log_scale(True)
        peakReport.set_background_color(QtGui.QColor(255, 255,255,255))
        peakReport.set_show_background(True)
        peakReport.set_foreground_color(QtGui.QColor(0, 0,0,255))
        peakReport.make_report(qLab, peaks_qLab_Integrated)
        peakReport.clean_files()
doreport()

There has been some tab space formatting here too.

[Martyn Gigg]

Clean up seems to work fine now.

[Martyn Gigg]

Merge remote-tracking branch 'origin/feature/8428_reporting'

Full changeset: ​23cf94539c75feafd45dd4903ddac1cb9e6faf4c

[Stuart Campbell]

This ticket has been transferred to github issue ​9272