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mantidproject
mantid
Commits
5e131b36
Commit
5e131b36
authored
Jul 13, 2018
by
Lynch, Vickie
Browse files
Refs #22420 rename variables
parent
ac32221d
Changes
3
Hide whitespace changes
Inline
Side-by-side
Framework/Crystal/src/PredictSatellitePeaks.cpp
View file @
5e131b36
...
...
@@ -42,14 +42,17 @@ void PredictSatellitePeaks::init() {
Direction
::
Output
),
"Workspace of Peaks with peaks with fractional h,k, and/or l values"
);
declareProperty
(
Kernel
::
make_unique
<
Kernel
::
ArrayProperty
<
double
>>
(
string
(
"
Offset
Vector1"
),
"0.0,0.0,0.0
,0
"
),
"Offsets for h, k, l directions
and order
"
);
string
(
"
Mod
Vector1"
),
"0.0,0.0,0.0"
),
"Offsets for h, k, l directions "
);
declareProperty
(
Kernel
::
make_unique
<
Kernel
::
ArrayProperty
<
double
>>
(
string
(
"
Offset
Vector2"
),
"0.0,0.0,0.0
,0
"
),
"Offsets for h, k, l directions
and order
"
);
string
(
"
Mod
Vector2"
),
"0.0,0.0,0.0"
),
"Offsets for h, k, l directions "
);
declareProperty
(
Kernel
::
make_unique
<
Kernel
::
ArrayProperty
<
double
>>
(
string
(
"OffsetVector3"
),
"0.0,0.0,0.0,0"
),
"Offsets for h, k, l directions and order"
);
string
(
"ModVector3"
),
"0.0,0.0,0.0"
),
"Offsets for h, k, l directions "
);
declareProperty
(
make_unique
<
PropertyWithValue
<
int
>>
(
"MaxOrder"
,
0
,
Direction
::
Input
),
"Maximum order to apply ModVectors. Default = 0"
);
declareProperty
(
"IncludeIntegerHKL"
,
true
,
...
...
@@ -101,26 +104,24 @@ void PredictSatellitePeaks::exec() {
throw
std
::
invalid_argument
(
"Input workspace is not a PeaksWorkspace. Type="
+
Peaks
->
id
());
vector
<
double
>
offsets1
=
getProperty
(
"OffsetVector1"
);
vector
<
double
>
offsets2
=
getProperty
(
"OffsetVector2"
);
vector
<
double
>
offsets3
=
getProperty
(
"OffsetVector3"
);
vector
<
double
>
offsets1
=
getProperty
(
"ModVector1"
);
vector
<
double
>
offsets2
=
getProperty
(
"ModVector2"
);
vector
<
double
>
offsets3
=
getProperty
(
"ModVector3"
);
int
maxOrder
=
getProperty
(
"MaxOrder"
);
if
(
offsets1
.
empty
())
{
offsets1
.
push_back
(
0.0
);
offsets1
.
push_back
(
0.0
);
offsets1
.
push_back
(
0.0
);
offsets1
.
push_back
(
0.0
);
}
if
(
offsets2
.
empty
())
{
offsets2
.
push_back
(
0.0
);
offsets2
.
push_back
(
0.0
);
offsets2
.
push_back
(
0.0
);
offsets2
.
push_back
(
0.0
);
}
if
(
offsets3
.
empty
())
{
offsets3
.
push_back
(
0.0
);
offsets3
.
push_back
(
0.0
);
offsets3
.
push_back
(
0.0
);
offsets3
.
push_back
(
0.0
);
}
bool
includePeaksInRange
=
getProperty
(
"IncludeAllPeaksInRange"
);
...
...
@@ -183,7 +184,7 @@ void PredictSatellitePeaks::exec() {
}
size_t
N
=
NPeaks
*
(
1
+
int
(
offsets1
[
3
]
*
2
+
offsets2
[
3
]
*
2
+
offsets3
[
3
]
*
2
)
);
NPeaks
*
(
1
+
2
*
maxOrder
);
if
(
includePeaksInRange
)
{
N
=
possibleHKLs
.
size
();
N
=
max
<
size_t
>
(
100
,
N
);
...
...
@@ -201,8 +202,7 @@ void PredictSatellitePeaks::exec() {
int
seqNum
=
0
;
size_t
next
=
0
;
while
(
!
done
)
{
for
(
int
order
=
-
static_cast
<
int
>
(
offsets1
[
3
]);
order
<=
static_cast
<
int
>
(
offsets1
[
3
]);
order
++
)
{
for
(
int
order
=
-
maxOrder
;
order
<=
maxOrder
;
order
++
)
{
if
(
order
==
0
&&
!
includeOrderZero
)
continue
;
// exclude order 0
try
{
...
...
@@ -255,8 +255,7 @@ void PredictSatellitePeaks::exec() {
throw
std
::
invalid_argument
(
"Invalid data at this point"
);
}
}
for
(
int
order
=
-
static_cast
<
int
>
(
offsets2
[
3
]);
order
<=
static_cast
<
int
>
(
offsets2
[
3
]);
order
++
)
{
for
(
int
order
=
-
maxOrder
;
order
<=
maxOrder
;
order
++
)
{
if
(
order
==
0
)
continue
;
// already added with 1st vector
try
{
...
...
@@ -307,8 +306,7 @@ void PredictSatellitePeaks::exec() {
throw
std
::
invalid_argument
(
"Invalid data at this point"
);
}
}
for
(
int
order
=
-
static_cast
<
int
>
(
offsets3
[
3
]);
order
<=
static_cast
<
int
>
(
offsets3
[
3
]);
order
++
)
{
for
(
int
order
=
-
maxOrder
;
order
<=
maxOrder
;
order
++
)
{
if
(
order
==
0
)
continue
;
// already added with 1st vector
try
{
...
...
Framework/Crystal/src/SaveIsawPeaks.cpp
View file @
5e131b36
...
...
@@ -119,7 +119,7 @@ void SaveIsawPeaks::exec() {
}
if
(
m_ModStru
)
header
=
"2 SEQN H K L
ORD1 ORD2 ORD3
COL ROW CHAN "
"2 SEQN H K L
M N P
COL ROW CHAN "
" L2 2_THETA AZ WL D IPK "
" INTI SIGI RFLG"
;
...
...
@@ -277,7 +277,7 @@ void SaveIsawPeaks::exec() {
offset1
=
run
.
getPropertyValueAsType
<
std
::
vector
<
double
>>
(
"Offset1"
);
offset2
=
run
.
getPropertyValueAsType
<
std
::
vector
<
double
>>
(
"Offset2"
);
offset3
=
run
.
getPropertyValueAsType
<
std
::
vector
<
double
>>
(
"Offset3"
);
out
<<
"9
OFFSETS
"
;
out
<<
"9
MODVECTOR
"
;
out
<<
std
::
setw
(
12
)
<<
std
::
fixed
<<
std
::
setprecision
(
6
)
<<
qSign
*
offset1
[
0
]
<<
" "
;
out
<<
std
::
setw
(
12
)
<<
std
::
fixed
<<
std
::
setprecision
(
6
)
...
...
Framework/MDAlgorithms/src/CentroidPeaksMD2.cpp
View file @
5e131b36
...
...
@@ -115,6 +115,7 @@ void CentroidPeaksMD2::integrate(typename MDEventWorkspace<MDE, nd>::sptr ws) {
centroid
[
d
]
/=
static_cast
<
coord_t
>
(
signal
);
V3D
vecCentroid
(
centroid
[
0
],
centroid
[
1
],
centroid
[
2
]);
p
.
setBinCount
(
static_cast
<
double
>
(
signal
));
// Save it back in the peak object, in the dimension specified.
try
{
...
...
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