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Ticket #10605 (closed: fixed)

Opened 6 years ago

Last modified 5 years ago

For EnginX FitPeaks improve ExpectedPeak entry

Reported by:	Lottie Greenwood	Owned by:	Lottie Greenwood
Priority:	minor	Milestone:	Release 3.4
Component:	Diffraction	Keywords:
Cc:		Blocked By:
Blocking:	#10910	Tester:	Dan Nixon

Description (last modified by Lottie Greenwood) (diff)

EngineX FitPeaks dialogue box currently only has a text entry for the expectedPeak values.

Add both a .csv file browser to automatically populate the text entry and set the default values to be for Ce.

Update documentation to reflect this.

Attachments

TESTFILE.csv (9 bytes) - added by Lottie Greenwood 6 years ago.

Change History

comment:1 Changed 6 years ago by Lottie Greenwood

Status changed from new to assigned

comment:2 Changed 6 years ago by Lottie Greenwood

Description modified (diff)

comment:3 Changed 6 years ago by Lottie Greenwood

Status changed from assigned to inprogress

Refs #10605 added defaults for fit peaks and file entry

Changeset: e32e8c6c763542893ee4510446e3dafff46a7ae7

comment:4 Changed 6 years ago by Lottie Greenwood

Refs #10605 set up file loading mechanism

Changeset: 7d03ec856622c40bd803f8f9e7c6dcf3fbef0225

comment:5 Changed 6 years ago by Lottie Greenwood

Refs #10605 Updated fitPeaks documentation

Changeset: e9eec62153595ef56aff58941cff78fbe24b9576

comment:6 Changed 6 years ago by Lottie Greenwood

Refs #10605 added default values

Changeset: abdcf76498893b639372d111a64da14a41a4d487

comment:7 Changed 6 years ago by Lottie Greenwood

Milestone changed from Backlog to Release 3.4

Changed 6 years ago by Lottie Greenwood

Attachment TESTFILE.csv added

comment:8 Changed 6 years ago by Lottie Greenwood

To test:

Create a workspace with 2 peaks and set instrument geometry using the below in the ipython console

peak1 = "name=BackToBackExponential,I=4000,A=1,B=0.5,X0=12000,S=350"
peak2 = "name=BackToBackExponential,I=5000,A=1,B=0.7,X0=35000,S=300"

# Create workpsace with the above peaks and a single detector pixel
ws = CreateSampleWorkspace(Function="User Defined",
                           UserDefinedFunction=peak1 + ";" + peak2,
                           NumBanks=1,
                           BankPixelWidth=1,
                           XMin=6000,
                           XMax=45000,
                           BinWidth=10)

# Update instrument geometry to something that would allow converting to some sane dSpacing values
EditInstrumentGeometry(Workspace = ws, L2 = [1.5], Polar = [90], PrimaryFlightPath = 50)

The set defaults will not work because currently fitPeaks has to be able to fit every expectedPeak in order to run correctly (addressed in #10907) however you can see the defaults are available by opening the algorithm UI for expectedPeaks

Test reading in of .csv files (can use file attached with workspace created above). If .csv file contains nothing/non-numerical characters, an error will be thrown.