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mantidproject
mantid
Commits
e9085825
Commit
e9085825
authored
6 years ago
by
Lynch, Vickie
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Refs #24376 set sample position for Fit
parent
c498bb81
Branches
24479_add_timestamp_to_editor_status_window
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1 changed file
Framework/Crystal/src/PeakHKLErrors.cpp
+8
-1
8 additions, 1 deletion
Framework/Crystal/src/PeakHKLErrors.cpp
with
8 additions
and
1 deletion
Framework/Crystal/src/PeakHKLErrors.cpp
+
8
−
1
View file @
e9085825
...
...
@@ -208,7 +208,7 @@ PeakHKLErrors::getNewInstrument(PeaksWorkspace_sptr Peaks) const {
}
else
// catch(... )
{
auto
P1
=
boost
::
make_shared
<
Geometry
::
Instrument
>
(
instSave
->
baseInstrument
(),
pmap
);
instSave
->
baseInstrument
(),
instSave
->
makeLegacyParameterMap
()
);
instChange
=
P1
;
}
...
...
@@ -394,6 +394,10 @@ void PeakHKLErrors::function1D(double *out, const double *xValues,
}
else
{
peak
.
setGoniometerMatrix
(
GonRot
*
peak
.
getGoniometerMatrix
());
}
V3D
sampOffsets
(
getParameter
(
"SampleXOffset"
),
getParameter
(
"SampleYOffset"
),
getParameter
(
"SampleZOffset"
));
peak
.
setSamplePos
(
sampOffsets
);
V3D
hkl
=
UBinv
*
peak
.
getQSampleFrame
();
...
...
@@ -513,6 +517,9 @@ void PeakHKLErrors::functionDeriv1D(Jacobian *out, const double *xValues,
chiParamNum
=
phiParamNum
=
omegaParamNum
=
nParams
()
+
10
;
peak
.
setGoniometerMatrix
(
GonRot
*
peak
.
getGoniometerMatrix
());
}
V3D
sampOffsets
(
getParameter
(
"SampleXOffset"
),
getParameter
(
"SampleYOffset"
),
getParameter
(
"SampleZOffset"
));
peak
.
setSamplePos
(
sampOffsets
);
// NOTE:Use getQLabFrame except for below.
// For parameters the getGoniometerMatrix should remove GonRot, for derivs
// wrt GonRot*, wrt chi*,phi*,etc.
...
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