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Whitfield, Ross
wand
Commits
8a1decb2
Commit
8a1decb2
authored
Sep 23, 2019
by
Whitfield, Ross
Browse files
Update integration_test_MDE.py
parent
6dc86420
Changes
1
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integration_test_MDE.py
View file @
8a1decb2
...
...
@@ -136,7 +136,16 @@ DensityThresholdFactor=10000,
CalculateGoniometerForCW
=
True
,
OutputWorkspace
=
'peaks'
)
IndexPeaks
(
PeaksWorkspace
=
'peaks'
)
OptimizeLatticeForCellType
(
PeaksWorkspace
=
'peaks'
,
CellType
=
'Hexagonal'
,
Apply
=
True
,
OutputDirectory
=
'/home/rwp/build/mantid/.'
)
OptimizeLatticeForCellType
(
PeaksWorkspace
=
'peaks'
,
CellType
=
'Hexagonal'
,
Apply
=
True
)
ConvertWANDSCDtoQ
(
InputWorkspace
=
'data'
,
NormalisationWorkspace
=
'norm'
,
UBWorkspace
=
'peaks'
,
Frame
=
'HKL'
,
OutputWorkspace
=
'HKL'
,
BinningDim0
=
'-5.01,5.01,501'
,
BinningDim1
=
'-5.01,5.01,501'
,
BinningDim2
=
'-0.21,0.81,51'
)
PredictPeaks
(
InputWorkspace
=
'peaks'
,
MinDSpacing
=
0.1
,
...
...
@@ -153,8 +162,8 @@ ol=mtd['peaks'].sample().getOrientedLattice()
a
=
ol
.
a
();
b
=
ol
.
b
()
c
=
ol
.
c
()
ol
.
seta
(
a
*
2
)
ol
.
setb
(
b
*
2
)
ol
.
seta
(
a
*
4
)
ol
.
setb
(
b
*
4
)
ol
.
setc
(
c
*
4
)
PredictPeaks
(
InputWorkspace
=
'peaks'
,
...
...
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