Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Sign in
Toggle navigation
Menu
Open sidebar
Whitfield, Ross
wand
Commits
54f3078f
Commit
54f3078f
authored
Sep 24, 2019
by
Whitfield, Ross
Browse files
Update integration_test_MDE.py
parent
8a1decb2
Changes
1
Hide whitespace changes
Inline
Side-by-side
integration_test_MDE.py
View file @
54f3078f
...
...
@@ -157,19 +157,20 @@ CalculateStructureFactors=True,
OutputWorkspace
=
'predict'
)
FindPeaksMD
(
InputWorkspace
=
'mde'
,
PeakDistanceThreshold
=
0.25
,
#DensityThresholdFactor=10000,
CalculateGoniometerForCW
=
True
,
OutputWorkspace
=
'peaks2'
)
FilterPeaks
(
InputWorkspace
=
'peaks2'
,
OutputWorkspace
=
'peaks2_filtered'
,
FilterVariable
=
'QMod'
,
Operator
=
'>'
,
FilterValue
=
1.5
)
IndexPeaks
(
PeaksWorkspace
=
'peaks2'
,
RoundHKLs
=
False
)
ol
=
mtd
[
'peaks'
].
sample
().
getOrientedLattice
()
a
=
ol
.
a
();
b
=
ol
.
b
()
c
=
ol
.
c
()
ol
.
seta
(
a
*
4
)
ol
.
setb
(
b
*
4
)
ol
.
setc
(
c
*
4
)
PredictPeaks
(
InputWorkspace
=
'peaks'
,
MinDSpacing
=
0.1
,
CalculateGoniometerForCW
=
True
,
Wavelength
=
1.488
,
MaxAngle
=
0
,
ReflectionCondition
=
'Hexagonally centred, reverse'
,
OutputWorkspace
=
'predict2'
)
LoadWANDSCD
(
IPTS
=
21362
,
RunNumbers
=
'120754-122554'
,
Grouping
=
'4x4'
,
OutputWorkspace
=
'data'
)
ConvertWANDSCDtoMDE
(
InputWorkspace
=
'data'
,
OutputWorkspace
=
'mde'
)
FindPeaksMD
(
InputWorkspace
=
'mde'
,
PeakDistanceThreshold
=
0.25
,
CalculateGoniometerForCW
=
True
,
OutputWorkspace
=
'peaks2'
)
FilterPeaks
(
InputWorkspace
=
'peaks2'
,
OutputWorkspace
=
'peaks2_filtered'
,
FilterVariable
=
'QMod'
,
FilterValue
=
1.5
,
Operator
=
'>'
)
FindUBUsingLatticeParameters
(
PeaksWorkspace
=
'peaks2_filtered'
,
a
=
4
,
b
=
4
,
c
=
4
,
alpha
=
90
,
beta
=
90
,
gamma
=
120
)
OptimizeLatticeForCellType
(
PeaksWorkspace
=
'peaks2_filtered'
,
CellType
=
'Hexagonal'
,
Apply
=
True
)
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment