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mantidproject
mantid
Commits
db868bcd
Commit
db868bcd
authored
Mar 05, 2019
by
Lynch, Vickie
Browse files
Refs #22420 change ModUB when modulation vectors entered
parent
e90dc3bb
Changes
4
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Framework/Crystal/src/IndexPeaksWithSatellites.cpp
View file @
db868bcd
...
...
@@ -131,6 +131,12 @@ void IndexPeaksWithSatellites::exec() {
if
(
maxOrder
==
0
)
maxOrder
=
o_lattice
.
getMaxOrder
();
CT
=
o_lattice
.
getCrossTerm
();
}
else
{
o_lattice
.
setModVec1
(
offsets1
);
o_lattice
.
setModVec2
(
offsets2
);
o_lattice
.
setModVec3
(
offsets3
);
o_lattice
.
setMaxOrder
(
maxOrder
);
o_lattice
.
setCrossTerm
(
CT
);
}
const
Matrix
<
double
>
&
UB
=
o_lattice
.
getUB
();
...
...
Framework/Crystal/src/PredictSatellitePeaks.cpp
View file @
db868bcd
...
...
@@ -153,12 +153,20 @@ void PredictSatellitePeaks::exec() {
OrientedLattice
lattice
=
sample
.
getOrientedLattice
();
if
(
getProperty
(
"GetModVectorsFromUB"
))
{
bool
fromUB
=
getProperty
(
"GetModVectorsFromUB"
);
if
(
fromUB
)
{
offsets1
=
lattice
.
getModVec
(
0
);
offsets2
=
lattice
.
getModVec
(
1
);
offsets3
=
lattice
.
getModVec
(
2
);
if
(
maxOrder
==
0
)
maxOrder
=
lattice
.
getMaxOrder
();
crossTerms
=
lattice
.
getCrossTerm
();
}
else
{
lattice
.
setModVec1
(
offsets1
);
lattice
.
setModVec2
(
offsets2
);
lattice
.
setModVec3
(
offsets3
);
lattice
.
setMaxOrder
(
maxOrder
);
lattice
.
setCrossTerm
(
crossTerms
);
}
const
auto
instrument
=
Peaks
->
getInstrument
();
...
...
@@ -252,12 +260,20 @@ void PredictSatellitePeaks::exec_peaks() {
OrientedLattice
lattice
=
sample
.
getOrientedLattice
();
if
(
getProperty
(
"GetModVectorsFromUB"
))
{
bool
fromUB
=
getProperty
(
"GetModVectorsFromUB"
);
if
(
fromUB
)
{
offsets1
=
lattice
.
getModVec
(
0
);
offsets2
=
lattice
.
getModVec
(
1
);
offsets3
=
lattice
.
getModVec
(
2
);
if
(
maxOrder
==
0
)
maxOrder
=
lattice
.
getMaxOrder
();
crossTerms
=
lattice
.
getCrossTerm
();
}
else
{
lattice
.
setModVec1
(
offsets1
);
lattice
.
setModVec2
(
offsets2
);
lattice
.
setModVec3
(
offsets3
);
lattice
.
setMaxOrder
(
maxOrder
);
lattice
.
setCrossTerm
(
crossTerms
);
}
bool
includePeaksInRange
=
false
;
...
...
Framework/Geometry/inc/MantidGeometry/Crystal/OrientedLattice.h
View file @
db868bcd
...
...
@@ -42,7 +42,7 @@ public:
// Access private variables
const
Kernel
::
DblMatrix
&
getU
()
const
;
const
Kernel
::
DblMatrix
&
getUB
()
const
;
const
Kernel
::
DblMatrix
&
getModUB
()
const
;
Kernel
::
DblMatrix
&
getModUB
();
void
setU
(
const
Kernel
::
DblMatrix
&
newU
,
const
bool
force
=
true
);
void
setUB
(
const
Kernel
::
DblMatrix
&
newUB
);
void
setModUB
(
const
Kernel
::
DblMatrix
&
newModUB
);
...
...
Framework/Geometry/src/Crystal/OrientedLattice.cpp
View file @
db868bcd
...
...
@@ -95,7 +95,10 @@ const DblMatrix &OrientedLattice::getU() const { return U; }
*/
const
DblMatrix
&
OrientedLattice
::
getUB
()
const
{
return
UB
;
}
const
DblMatrix
&
OrientedLattice
::
getModUB
()
const
{
return
ModUB
;
}
DblMatrix
&
OrientedLattice
::
getModUB
(){
ModUB
=
UB
*
getModHKL
();
return
ModUB
;
}
/** Sets the U matrix
@param newU :: the new U matrix
...
...
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