Skip to content
GitLab
Projects
Groups
Snippets
/
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Sign in
Toggle navigation
Menu
Open sidebar
mantidproject
mantid
Commits
7ee58c5e
Commit
7ee58c5e
authored
Dec 05, 2018
by
Lynch, Vickie
Browse files
Refs #22420 clang-format
parent
1d8a5421
Changes
11
Hide whitespace changes
Inline
Side-by-side
Framework/Crystal/inc/MantidCrystal/FindUBUsingIndexedPeaks.h
View file @
7ee58c5e
...
...
@@ -8,9 +8,9 @@
#define MANTID_CRYSTAL_FIND_UB_USING_INDEXED_PEAKS_H_
#include
"MantidAPI/Algorithm.h"
#include
"MantidDataObjects/Peak.h"
#include
"MantidGeometry/Crystal/OrientedLattice.h"
#include
"MantidKernel/System.h"
#include
"MantidDataObjects/Peak.h"
namespace
Mantid
{
namespace
Crystal
{
...
...
Framework/Crystal/inc/MantidCrystal/LoadIsawUB.h
View file @
7ee58c5e
...
...
@@ -8,8 +8,8 @@
#define MANTID_CRYSTAL_LOADISAWUB_H_
#include
"MantidAPI/Algorithm.h"
#include
"MantidKernel/System.h"
#include
"MantidKernel/Matrix.h"
#include
"MantidKernel/System.h"
namespace
Mantid
{
namespace
Crystal
{
...
...
Framework/Crystal/inc/MantidCrystal/PredictSatellitePeaks.h
View file @
7ee58c5e
...
...
@@ -70,8 +70,7 @@ private:
void
exec
()
override
;
void
exec_peaks
();
Kernel
::
V3D
getOffsetVector
(
const
std
::
string
&
label
);
void
predictOffsets
(
int
iVector
,
Kernel
::
V3D
offsets
,
int
&
maxOrder
,
void
predictOffsets
(
int
iVector
,
Kernel
::
V3D
offsets
,
int
&
maxOrder
,
Kernel
::
V3D
&
hkl
,
Geometry
::
HKLFilterWavelength
&
lambdaFilter
,
bool
&
includePeaksInRange
,
bool
&
includeOrderZero
,
...
...
Framework/Crystal/src/FindUBUsingIndexedPeaks.cpp
View file @
7ee58c5e
...
...
@@ -82,8 +82,7 @@ void FindUBUsingIndexedPeaks::exec() {
if
(
mnp
[
0
]
*
mnp
[
1
]
!=
0
||
mnp
[
1
]
*
mnp
[
2
]
!=
0
||
mnp
[
2
]
*
mnp
[
0
]
!=
0
)
CrossTerm
=
true
;
if
(
isPeakIndexed
(
peak
))
{
if
(
isPeakIndexed
(
peak
))
{
q_vectors
.
push_back
(
peak
.
getQSampleFrame
());
hkl_vectors
.
push_back
(
hkl
);
mnp_vectors
.
push_back
(
mnp
);
...
...
@@ -91,7 +90,7 @@ void FindUBUsingIndexedPeaks::exec() {
}
}
//too few indexed peaks to work with
//
too few indexed peaks to work with
if
(
indexed_count
<
MIN_INDEXED_PEAKS
)
{
throw
std
::
runtime_error
(
"At least three linearly independent indexed peaks are needed."
);
...
...
@@ -114,7 +113,7 @@ void FindUBUsingIndexedPeaks::exec() {
{
// from the full list of peaks, and
q_vectors
.
clear
();
// save the UB in the sample
q_vectors
.
reserve
(
n_peaks
);
for
(
auto
&
peak
:
peaks
)
{
for
(
auto
&
peak
:
peaks
)
{
q_vectors
.
push_back
(
peak
.
getQSampleFrame
());
}
...
...
@@ -170,14 +169,14 @@ void FindUBUsingIndexedPeaks::exec() {
rsigabc
[
4
],
rsigabc
[
5
]);
g_log
.
notice
()
<<
run_lattice
<<
"
\n
"
;
double
average_error
=
0.
;
IndexingUtils
::
CalculateMillerIndices
(
UB
,
run_q_vectors
,
1.0
,
run_fhkl_vectors
,
average_error
);
for
(
size_t
i
=
0
;
i
<
run_indexed
;
i
++
)
{
if
(
IndexingUtils
::
ValidIndex
(
run_fhkl_vectors
[
i
],
tolerance
))
continue
;
double
average_error
=
0.
;
IndexingUtils
::
CalculateMillerIndices
(
UB
,
run_q_vectors
,
1.0
,
run_fhkl_vectors
,
average_error
);
for
(
size_t
i
=
0
;
i
<
run_indexed
;
i
++
)
{
if
(
IndexingUtils
::
ValidIndex
(
run_fhkl_vectors
[
i
],
tolerance
))
continue
;
V3D
fhkl
(
run_fhkl_vectors
[
i
]);
V3D
fhkl
(
run_fhkl_vectors
[
i
]);
for
(
int
j
=
0
;
j
<
3
;
j
++
)
{
if
(
run_mnp_vectors
[
i
][
j
]
!=
0
)
{
fhkl
-=
run_lattice
.
getModVec
(
j
)
*
run_mnp_vectors
[
i
][
j
];
...
...
@@ -185,9 +184,10 @@ void FindUBUsingIndexedPeaks::exec() {
sate_indexed
++
;
V3D
errhkl
=
fhkl
-
run_hkl_vectors
[
i
];
errhkl
=
errhkl
.
absoluteValue
();
for
(
int
k
=
0
;
k
<
3
;
k
++
)
errorHKL
[
k
][
j
]
+=
errhkl
[
k
];
for
(
int
k
=
0
;
k
<
3
;
k
++
)
errorHKL
[
k
][
j
]
+=
errhkl
[
k
];
}
}
}
}
}
}
...
...
@@ -224,17 +224,17 @@ void FindUBUsingIndexedPeaks::logLattice(OrientedLattice &o_lattice,
g_log
.
notice
()
<<
o_lattice
<<
"
\n
"
;
g_log
.
notice
()
<<
"Modulation Dimension is: "
<<
ModDim
<<
"
\n
"
;
for
(
int
i
=
0
;
i
<
ModDim
;
i
++
)
{
g_log
.
notice
()
<<
"Modulation Vector "
<<
i
+
1
<<
": "
g_log
.
notice
()
<<
"Modulation Vector "
<<
i
+
1
<<
": "
<<
o_lattice
.
getModVec
(
i
)
<<
"
\n
"
;
g_log
.
notice
()
<<
"Modulation Vector "
<<
i
+
1
g_log
.
notice
()
<<
"Modulation Vector "
<<
i
+
1
<<
" error: "
<<
o_lattice
.
getVecErr
(
i
)
<<
"
\n
"
;
}
}
bool
FindUBUsingIndexedPeaks
::
isPeakIndexed
(
Peak
&
peak
)
{
V3D
hkl
(
peak
.
getIntHKL
());
// ##### KEEP
V3D
mnp
(
peak
.
getIntMNP
());
return
(
IndexingUtils
::
ValidIndex
(
hkl
,
1.0
)
||
IndexingUtils
::
ValidIndex
(
mnp
,
1.0
));
V3D
hkl
(
peak
.
getIntHKL
());
// ##### KEEP
V3D
mnp
(
peak
.
getIntMNP
());
return
(
IndexingUtils
::
ValidIndex
(
hkl
,
1.0
)
||
IndexingUtils
::
ValidIndex
(
mnp
,
1.0
));
}
}
// namespace Crystal
}
// namespace Mantid
Framework/Crystal/src/IndexPeaks.cpp
View file @
7ee58c5e
...
...
@@ -112,7 +112,7 @@ void IndexPeaks::exec() {
std
::
vector
<
V3D
>
q_vectors
;
q_vectors
.
reserve
(
n_peaks
);
for
(
auto
&
peak
:
peaks
)
{
for
(
auto
&
peak
:
peaks
)
{
q_vectors
.
push_back
(
peak
.
getQSampleFrame
());
}
...
...
@@ -132,7 +132,7 @@ void IndexPeaks::exec() {
// get list of run numbers in this peaks workspace
std
::
vector
<
int
>
run_numbers
;
for
(
auto
&
peak
:
peaks
)
{
for
(
auto
&
peak
:
peaks
)
{
int
run
=
peak
.
getRunNumber
();
bool
found
=
false
;
size_t
k
=
0
;
...
...
@@ -154,7 +154,7 @@ void IndexPeaks::exec() {
std
::
vector
<
V3D
>
q_vectors
;
int
run
=
run_numbers
[
run_index
];
for
(
auto
&
peak
:
peaks
)
{
for
(
auto
&
peak
:
peaks
)
{
if
(
peak
.
getRunNumber
()
==
run
)
q_vectors
.
push_back
(
peak
.
getQSampleFrame
());
}
...
...
@@ -228,7 +228,7 @@ void IndexPeaks::exec() {
}
size_t
miller_index_counter
=
0
;
for
(
auto
&
peak
:
peaks
)
{
for
(
auto
&
peak
:
peaks
)
{
if
(
peak
.
getRunNumber
()
==
run
)
{
peak
.
setHKL
(
miller_indices
[
miller_index_counter
]);
peak
.
setIntHKL
(
miller_indices
[
miller_index_counter
]);
...
...
@@ -262,7 +262,7 @@ void IndexPeaks::exec() {
// Index satellite peaks
size_t
miller_index_counter
=
0
;
for
(
auto
&
peak
:
peaks
)
{
for
(
auto
&
peak
:
peaks
)
{
if
(
peak
.
getRunNumber
()
==
run
)
{
peak
.
setHKL
(
miller_indices
[
miller_index_counter
]);
miller_index_counter
++
;
...
...
@@ -297,7 +297,7 @@ void IndexPeaks::exec() {
if
(
order
==
0
)
continue
;
// exclude order 0
V3D
hkl1
(
hkl
);
hkl1
-=
offsets2
*
order
;
hkl1
-=
offsets2
*
order
;
if
(
IndexingUtils
::
ValidIndex
(
hkl1
,
satetolerance
))
{
peak
.
setIntHKL
(
hkl1
);
peak
.
setIntMNP
(
V3D
(
0
,
order
,
0
));
...
...
@@ -328,7 +328,7 @@ void IndexPeaks::exec() {
if
(
order
==
0
)
continue
;
// exclude order 0
V3D
hkl1
(
hkl
);
hkl1
-=
offsets1
*
order
;
hkl1
-=
offsets1
*
order
;
if
(
IndexingUtils
::
ValidIndex
(
hkl1
,
satetolerance
))
{
peak
.
setIntHKL
(
hkl1
);
peak
.
setIntMNP
(
V3D
(
order
,
0
,
0
));
...
...
@@ -344,7 +344,7 @@ void IndexPeaks::exec() {
if
(
m
==
0
&&
n
==
0
)
continue
;
// exclude 0,0
V3D
hkl1
(
hkl
);
hkl1
-=
offsets1
*
m
+
offsets2
*
n
;
hkl1
-=
offsets1
*
m
+
offsets2
*
n
;
if
(
IndexingUtils
::
ValidIndex
(
hkl1
,
satetolerance
))
{
peak
.
setIntHKL
(
hkl1
);
peak
.
setIntMNP
(
V3D
(
m
,
n
,
0
));
...
...
@@ -361,8 +361,7 @@ void IndexPeaks::exec() {
if
(
m
==
0
&&
n
==
0
&&
p
==
0
)
continue
;
// exclude 0,0,0
V3D
hkl1
(
hkl
);
hkl1
-=
offsets1
*
m
+
offsets2
*
n
+
offsets3
*
p
;
hkl1
-=
offsets1
*
m
+
offsets2
*
n
+
offsets3
*
p
;
if
(
IndexingUtils
::
ValidIndex
(
hkl1
,
satetolerance
))
{
peak
.
setIntHKL
(
hkl1
);
peak
.
setIntMNP
(
V3D
(
m
,
n
,
p
));
...
...
Framework/Crystal/src/IndexPeaksWithSatellites.cpp
View file @
7ee58c5e
...
...
@@ -178,8 +178,9 @@ void IndexPeaksWithSatellites::exec() {
// get list of run numbers in this peaks workspace
std
::
unordered_set
<
int
>
run_numbers
;
transform
(
peaks
.
begin
(),
peaks
.
end
(),
std
::
inserter
(
run_numbers
,
run_numbers
.
begin
()),
[]
(
const
auto
&
peak
)
{
return
peak
.
getRunNumber
();
});
transform
(
peaks
.
begin
(),
peaks
.
end
(),
std
::
inserter
(
run_numbers
,
run_numbers
.
begin
()),
[](
const
auto
&
peak
)
{
return
peak
.
getRunNumber
();
});
// index the peaks for each run separately, using a UB matrix optimized for
// that run
...
...
Framework/Crystal/src/PredictSatellitePeaks.cpp
View file @
7ee58c5e
...
...
@@ -212,10 +212,9 @@ void PredictSatellitePeaks::exec() {
for
(
auto
it
=
possibleHKLs
.
begin
();
it
!=
possibleHKLs
.
end
();
++
it
)
{
V3D
hkl
=
*
it
;
if
(
crossTerms
)
{
predictOffsetsWithCrossTerms
(
offsets1
,
offsets2
,
offsets3
,
maxOrder
,
hkl
,
lambdaFilter
,
includePeaksInRange
,
includeOrderZero
,
AlreadyDonePeaks
);
predictOffsetsWithCrossTerms
(
offsets1
,
offsets2
,
offsets3
,
maxOrder
,
hkl
,
lambdaFilter
,
includePeaksInRange
,
includeOrderZero
,
AlreadyDonePeaks
);
}
else
{
predictOffsets
(
0
,
offsets1
,
maxOrder
,
hkl
,
lambdaFilter
,
includePeaksInRange
,
includeOrderZero
,
AlreadyDonePeaks
);
...
...
@@ -291,10 +290,9 @@ void PredictSatellitePeaks::exec_peaks() {
auto
peak
=
*
it
;
V3D
hkl
=
peak
.
getHKL
();
if
(
crossTerms
)
{
predictOffsetsWithCrossTerms
(
offsets1
,
offsets2
,
offsets3
,
maxOrder
,
hkl
,
lambdaFilter
,
includePeaksInRange
,
includeOrderZero
,
AlreadyDonePeaks
);
predictOffsetsWithCrossTerms
(
offsets1
,
offsets2
,
offsets3
,
maxOrder
,
hkl
,
lambdaFilter
,
includePeaksInRange
,
includeOrderZero
,
AlreadyDonePeaks
);
}
else
{
predictOffsets
(
0
,
offsets1
,
maxOrder
,
hkl
,
lambdaFilter
,
includePeaksInRange
,
includeOrderZero
,
AlreadyDonePeaks
);
...
...
@@ -322,10 +320,9 @@ void PredictSatellitePeaks::exec_peaks() {
}
void
PredictSatellitePeaks
::
predictOffsets
(
int
indexModulatedVector
,
V3D
offsets
,
int
&
maxOrder
,
V3D
&
hkl
,
HKLFilterWavelength
&
lambdaFilter
,
bool
&
includePeaksInRange
,
bool
&
includeOrderZero
,
vector
<
vector
<
int
>>
&
AlreadyDonePeaks
)
{
int
indexModulatedVector
,
V3D
offsets
,
int
&
maxOrder
,
V3D
&
hkl
,
HKLFilterWavelength
&
lambdaFilter
,
bool
&
includePeaksInRange
,
bool
&
includeOrderZero
,
vector
<
vector
<
int
>>
&
AlreadyDonePeaks
)
{
if
(
offsets
==
V3D
(
0
,
0
,
0
))
return
;
const
Kernel
::
DblMatrix
&
UB
=
Peaks
->
sample
().
getOrientedLattice
().
getUB
();
...
...
@@ -379,8 +376,7 @@ void PredictSatellitePeaks::predictOffsets(
}
void
PredictSatellitePeaks
::
predictOffsetsWithCrossTerms
(
V3D
offsets1
,
V3D
offsets2
,
V3D
offsets3
,
int
&
maxOrder
,
V3D
&
hkl
,
V3D
offsets1
,
V3D
offsets2
,
V3D
offsets3
,
int
&
maxOrder
,
V3D
&
hkl
,
HKLFilterWavelength
&
lambdaFilter
,
bool
&
includePeaksInRange
,
bool
&
includeOrderZero
,
vector
<
vector
<
int
>>
&
AlreadyDonePeaks
)
{
if
(
offsets1
==
V3D
(
0
,
0
,
0
)
&&
offsets2
==
V3D
(
0
,
0
,
0
)
&&
...
...
Framework/Crystal/test/FindUBUsingIndexedPeaksTest.h
View file @
7ee58c5e
...
...
@@ -14,11 +14,11 @@
#include
<cxxtest/TestSuite.h>
#include
"MantidCrystal/FindUBUsingIndexedPeaks.h"
#include
"MantidCrystal/LoadIsawPeaks.h"
#include
"MantidCrystal/LoadIsawUB.h"
#include
"MantidDataHandling/LoadNexusProcessed.h"
#include
"MantidDataObjects/PeaksWorkspace.h"
#include
"MantidGeometry/Crystal/OrientedLattice.h"
#include
"MantidCrystal/LoadIsawPeaks.h"
using
namespace
Mantid
::
Crystal
;
using
Mantid
::
Geometry
::
OrientedLattice
;
...
...
@@ -102,7 +102,8 @@ public:
const
V3D
mnp
=
peak
.
getIntMNP
();
V3D
mnpNew
=
mnp
;
srand
(
0
);
if
(
std
::
abs
(
mnp
[
0
])
==
1
)
mnpNew
[
1
]
=
rand
()
%
2
;
if
(
std
::
abs
(
mnp
[
0
])
==
1
)
mnpNew
[
1
]
=
rand
()
%
2
;
peak
.
setIntMNP
(
mnpNew
);
}
FindUBUsingIndexedPeaks
alg2
;
...
...
@@ -123,8 +124,8 @@ public:
// Check that the UB matrix is the same as in TOPAZ_3007.mat
OrientedLattice
latt
=
ws
->
mutableSample
().
getOrientedLattice
();
double
correct_err1
[]
=
{
0.003723
,
0.002231
,
0.002820
};
double
correct_err2
[]
=
{
0.000796
,
0.002043
,
0.002671
};
double
correct_err1
[]
=
{
0.003723
,
0.002231
,
0.002820
};
double
correct_err2
[]
=
{
0.000796
,
0.002043
,
0.002671
};
std
::
vector
<
double
>
err_calculated1
=
latt
.
getVecErr
(
0
);
std
::
vector
<
double
>
err_calculated2
=
latt
.
getVecErr
(
1
);
...
...
Framework/Kernel/src/V3D.cpp
View file @
7ee58c5e
...
...
@@ -574,29 +574,28 @@ V3D V3D::directionAngles(bool inDegrees) const {
*/
int
V3D
::
maxCoeff
()
{
int
MaxOrder
=
0
;
if
(
abs
(
static_cast
<
int
>
(
x
))
>
MaxOrder
)
MaxOrder
=
abs
(
static_cast
<
int
>
(
x
));
if
(
abs
(
static_cast
<
int
>
(
y
))
>
MaxOrder
)
MaxOrder
=
abs
(
static_cast
<
int
>
(
y
));
if
(
abs
(
static_cast
<
int
>
(
z
))
>
MaxOrder
)
MaxOrder
=
abs
(
static_cast
<
int
>
(
z
));
return
MaxOrder
;
if
(
abs
(
static_cast
<
int
>
(
x
))
>
MaxOrder
)
MaxOrder
=
abs
(
static_cast
<
int
>
(
x
));
if
(
abs
(
static_cast
<
int
>
(
y
))
>
MaxOrder
)
MaxOrder
=
abs
(
static_cast
<
int
>
(
y
));
if
(
abs
(
static_cast
<
int
>
(
z
))
>
MaxOrder
)
MaxOrder
=
abs
(
static_cast
<
int
>
(
z
));
return
MaxOrder
;
}
/**
Calculates the absolute value.
Calculates the absolute value.
@return The absolute value
*/
V3D
V3D
::
absoluteValue
()
const
{
return
V3D
(
fabs
(
x
),
fabs
(
y
),
fabs
(
z
));
}
V3D
V3D
::
absoluteValue
()
const
{
return
V3D
(
fabs
(
x
),
fabs
(
y
),
fabs
(
z
));
}
/**
Calculates the error of the HKL to compare with tolerance
@return The error
*/
double
V3D
::
hklError
()
const
{
return
fabs
(
x
-
std
::
round
(
x
))
+
fabs
(
y
-
std
::
round
(
y
))
+
fabs
(
z
-
std
::
round
(
z
));
return
fabs
(
x
-
std
::
round
(
x
))
+
fabs
(
y
-
std
::
round
(
y
))
+
fabs
(
z
-
std
::
round
(
z
));
}
}
// Namespace Kernel
...
...
Framework/MDAlgorithms/test/Integrate3DEventsTest.h
View file @
7ee58c5e
...
...
@@ -151,17 +151,15 @@ public:
UBinv
.
setRow
(
1
,
V3D
(
0
,
.2
,
0
));
UBinv
.
setRow
(
2
,
V3D
(
0
,
0
,
.25
));
std
::
vector
<
V3D
>
hkl_list
{
UBinv
*
peak_1
,
UBinv
*
peak_2
,
UBinv
*
peak_3
};
std
::
vector
<
V3D
>
hkl_list
{
UBinv
*
peak_1
,
UBinv
*
peak_2
,
UBinv
*
peak_3
};
// synthesize a ModHKL
DblMatrix
ModHKL
(
3
,
3
,
false
);
// Q to h,k,l
ModHKL
.
setRow
(
0
,
V3D
(
0.4
,
0
,
0
));
ModHKL
.
setRow
(
1
,
V3D
(
0
,
0
,
0
));
ModHKL
.
setRow
(
2
,
V3D
(
0
,
0
,
0
));
std
::
vector
<
V3D
>
mnp_list
{
V3D
(
-
1
,
0
,
0
),
V3D
(
0
,
0
,
0
),
V3D
(
0
,
0
,
0
)};
std
::
vector
<
V3D
>
mnp_list
{
V3D
(
-
1
,
0
,
0
),
V3D
(
0
,
0
,
0
),
V3D
(
0
,
0
,
0
)};
// synthesize events around the
// peaks. All events with in one
...
...
@@ -209,7 +207,8 @@ public:
double
radius_s
=
0.1
;
int
maxOrder
=
1
;
bool
crossTerm
=
false
;
Integrate3DEvents
integrator
(
peak_q_list
,
hkl_list
,
mnp_list
,
UBinv
,
ModHKL
,
radius
,
radius_s
,
maxOrder
,
crossTerm
);
Integrate3DEvents
integrator
(
peak_q_list
,
hkl_list
,
mnp_list
,
UBinv
,
ModHKL
,
radius
,
radius_s
,
maxOrder
,
crossTerm
);
integrator
.
addEvents
(
event_Qs
,
false
);
...
...
Framework/MDAlgorithms/test/IntegrateEllipsoidsWithSatellitesTest.h
View file @
7ee58c5e
...
...
@@ -28,9 +28,9 @@ using Mantid::Types::Event::TofEvent;
namespace
{
// Add A Fake 'Peak' to both the event data and to the peaks workspace
void
addFakeEllipsoid
(
const
V3D
&
peakHKL
,
const
V3D
&
peakMNP
,
const
int
&
totalNPixels
,
const
int
&
nEvents
,
const
double
tofGap
,
EventWorkspace_sptr
&
eventWS
,
void
addFakeEllipsoid
(
const
V3D
&
peakHKL
,
const
V3D
&
peakMNP
,
const
int
&
totalNPixels
,
const
int
&
nEvents
,
const
double
tofGap
,
EventWorkspace_sptr
&
eventWS
,
PeaksWorkspace_sptr
&
peaksWS
)
{
// Create the peak and add it to the peaks ws
Peak
*
peak
=
peaksWS
->
createPeakHKL
(
peakHKL
);
...
...
@@ -358,7 +358,8 @@ public:
TSM_ASSERT_DELTA
(
"Wrong intensity for peak 0"
,
integratedPeaksWS
->
getPeak
(
0
).
getIntensity
(),
6
,
0.01
);
TSM_ASSERT_DELTA
(
"Wrong intensity for peak 1"
,
integratedPeaksWS
->
getPeak
(
1
).
getIntensity
(),
10.8964
,
0.01
);
integratedPeaksWS
->
getPeak
(
1
).
getIntensity
(),
10.8964
,
0.01
);
TSM_ASSERT_DELTA
(
"Wrong intensity for peak 2"
,
integratedPeaksWS
->
getPeak
(
2
).
getIntensity
(),
9
,
0.01
);
TSM_ASSERT_DELTA
(
"Wrong intensity for peak 3"
,
...
...
@@ -366,7 +367,8 @@ public:
TSM_ASSERT_DELTA
(
"Wrong intensity for peak 4"
,
integratedPeaksWS
->
getPeak
(
4
).
getIntensity
(),
0
,
0.01
);
TSM_ASSERT_DELTA
(
"Wrong intensity for peak 5"
,
integratedPeaksWS
->
getPeak
(
5
).
getIntensity
(),
20.9410
,
0.01
);
integratedPeaksWS
->
getPeak
(
5
).
getIntensity
(),
20.9410
,
0.01
);
}
void
test_execution_histograms_adaptive
()
{
...
...
Write
Preview
Supports
Markdown
0%
Try again
or
attach a new 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