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mantidproject
mantid
Commits
3da2ed2d
Commit
3da2ed2d
authored
Jul 16, 2018
by
Lynch, Vickie
Browse files
Refs #22420 clang-format
parent
1277911a
Changes
3
Hide whitespace changes
Inline
Side-by-side
Framework/Crystal/src/PredictSatellitePeaks.cpp
View file @
3da2ed2d
...
...
@@ -50,9 +50,9 @@ void PredictSatellitePeaks::init() {
declareProperty
(
Kernel
::
make_unique
<
Kernel
::
ArrayProperty
<
double
>>
(
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
(
make_unique
<
PropertyWithValue
<
int
>>
(
"MaxOrder"
,
0
,
Direction
::
Input
),
"Maximum order to apply ModVectors. Default = 0"
);
declareProperty
(
"IncludeIntegerHKL"
,
true
,
...
...
@@ -183,8 +183,7 @@ void PredictSatellitePeaks::exec() {
hkl
[
2
]
=
peak0
.
getL
();
}
size_t
N
=
NPeaks
*
(
1
+
2
*
maxOrder
);
size_t
N
=
NPeaks
*
(
1
+
2
*
maxOrder
);
if
(
includePeaksInRange
)
{
N
=
possibleHKLs
.
size
();
N
=
max
<
size_t
>
(
100
,
N
);
...
...
Framework/DataObjects/src/Peak.cpp
View file @
3da2ed2d
...
...
@@ -30,7 +30,7 @@ Peak::Peak()
m_finalEnergy
(
0.
),
m_GoniometerMatrix
(
3
,
3
,
true
),
m_InverseGoniometerMatrix
(
3
,
3
,
true
),
m_runNumber
(
0
),
m_monitorCount
(
0
),
m_row
(
-
1
),
m_col
(
-
1
),
m_orig_H
(
0
),
m_orig_K
(
0
),
m_orig_L
(
0
),
m_peakNumber
(
0
),
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakNumber
(
0
),
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
}
...
...
@@ -52,7 +52,8 @@ Peak::Peak(const Geometry::Instrument_const_sptr &m_inst,
m_binCount
(
0
),
m_GoniometerMatrix
(
3
,
3
,
true
),
m_InverseGoniometerMatrix
(
3
,
3
,
true
),
m_runNumber
(
0
),
m_monitorCount
(
0
),
m_orig_H
(
0
),
m_orig_K
(
0
),
m_orig_L
(
0
),
m_peakNumber
(
0
),
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
this
->
setInstrument
(
m_inst
);
this
->
setQLabFrame
(
QLabFrame
,
detectorDistance
);
...
...
@@ -79,7 +80,8 @@ Peak::Peak(const Geometry::Instrument_const_sptr &m_inst,
m_binCount
(
0
),
m_GoniometerMatrix
(
goniometer
),
m_InverseGoniometerMatrix
(
goniometer
),
m_runNumber
(
0
),
m_monitorCount
(
0
),
m_orig_H
(
0
),
m_orig_K
(
0
),
m_orig_L
(
0
),
m_peakNumber
(
0
),
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
if
(
fabs
(
m_InverseGoniometerMatrix
.
Invert
())
<
1e-8
)
throw
std
::
invalid_argument
(
...
...
@@ -102,7 +104,8 @@ Peak::Peak(const Geometry::Instrument_const_sptr &m_inst, int m_detectorID,
m_binCount
(
0
),
m_GoniometerMatrix
(
3
,
3
,
true
),
m_InverseGoniometerMatrix
(
3
,
3
,
true
),
m_runNumber
(
0
),
m_monitorCount
(
0
),
m_orig_H
(
0
),
m_orig_K
(
0
),
m_orig_L
(
0
),
m_peakNumber
(
0
),
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
this
->
setInstrument
(
m_inst
);
this
->
setDetectorID
(
m_detectorID
);
...
...
@@ -124,7 +127,8 @@ Peak::Peak(const Geometry::Instrument_const_sptr &m_inst, int m_detectorID,
m_sigmaIntensity
(
0
),
m_binCount
(
0
),
m_GoniometerMatrix
(
3
,
3
,
true
),
m_InverseGoniometerMatrix
(
3
,
3
,
true
),
m_runNumber
(
0
),
m_monitorCount
(
0
),
m_orig_H
(
0
),
m_orig_K
(
0
),
m_orig_L
(
0
),
m_peakNumber
(
0
),
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
this
->
setInstrument
(
m_inst
);
this
->
setDetectorID
(
m_detectorID
);
...
...
@@ -148,7 +152,8 @@ Peak::Peak(const Geometry::Instrument_const_sptr &m_inst, int m_detectorID,
m_sigmaIntensity
(
0
),
m_binCount
(
0
),
m_GoniometerMatrix
(
goniometer
),
m_InverseGoniometerMatrix
(
goniometer
),
m_runNumber
(
0
),
m_monitorCount
(
0
),
m_orig_H
(
0
),
m_orig_K
(
0
),
m_orig_L
(
0
),
m_peakNumber
(
0
),
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
if
(
fabs
(
m_InverseGoniometerMatrix
.
Invert
())
<
1e-8
)
throw
std
::
invalid_argument
(
...
...
@@ -171,7 +176,7 @@ Peak::Peak(const Geometry::Instrument_const_sptr &m_inst, double scattering,
m_binCount
(
0
),
m_GoniometerMatrix
(
3
,
3
,
true
),
m_InverseGoniometerMatrix
(
3
,
3
,
true
),
m_runNumber
(
0
),
m_monitorCount
(
0
),
m_row
(
-
1
),
m_col
(
-
1
),
m_orig_H
(
0
),
m_orig_K
(
0
),
m_orig_L
(
0
),
m_peakNumber
(
0
),
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakNumber
(
0
),
m_ModStru
(
V3D
(
0
,
0
,
0
)),
m_intH
(
0
),
m_intK
(
0
),
m_intL
(
0
),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
this
->
setInstrument
(
m_inst
);
...
...
@@ -224,8 +229,7 @@ Peak::Peak(const Geometry::IPeak &ipeak)
m_monitorCount
(
ipeak
.
getMonitorCount
()),
m_row
(
ipeak
.
getRow
()),
m_col
(
ipeak
.
getCol
()),
m_orig_H
(
0.
),
m_orig_K
(
0.
),
m_orig_L
(
0.
),
m_peakNumber
(
ipeak
.
getPeakNumber
()),
m_ModStru
(
ipeak
.
getModStru
()),
m_intH
(
ipeak
.
getIntHKL
().
X
()),
m_intK
(
ipeak
.
getIntHKL
().
Y
()),
m_intH
(
ipeak
.
getIntHKL
().
X
()),
m_intK
(
ipeak
.
getIntHKL
().
Y
()),
m_intL
(
ipeak
.
getIntHKL
().
Z
()),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
...
...
@@ -758,7 +762,9 @@ double Peak::getL() const { return m_L; }
Mantid
::
Kernel
::
V3D
Peak
::
getHKL
()
const
{
return
V3D
(
m_H
,
m_K
,
m_L
);
}
/** Return the int HKL vector */
Mantid
::
Kernel
::
V3D
Peak
::
getIntHKL
()
const
{
return
V3D
(
m_intH
,
m_intK
,
m_intL
);
}
Mantid
::
Kernel
::
V3D
Peak
::
getIntHKL
()
const
{
return
V3D
(
m_intH
,
m_intK
,
m_intL
);
}
//----------------------------------------------------------------------------------------------
/** Set the H index of this peak
...
...
Framework/PythonInterface/mantid/api/src/Exports/IPeak.cpp
View file @
3da2ed2d
...
...
@@ -88,9 +88,9 @@ void export_IPeak() {
"Get HKL as a :class:`~mantid.kernel.V3D` object"
)
.
def
(
"getIntHKL"
,
&
IPeak
::
getIntHKL
,
arg
(
"self"
),
"Get HKL as a :class:`~mantid.kernel.V3D` object"
)
.
def
(
"setIntHKL"
,
(
void
(
IPeak
::*
)(
Mantid
::
Kernel
::
V3D
))
&
IPeak
::
setIntHKL
,
(
arg
(
"self"
),
arg
(
"hkl"
))
,
"Set the integer HKL values of this peak"
)
.
def
(
"setIntHKL"
,
(
void
(
IPeak
::*
)(
Mantid
::
Kernel
::
V3D
))
&
IPeak
::
setIntHKL
,
(
arg
(
"self"
),
arg
(
"hkl"
)),
"Set the integer HKL values of this peak"
)
.
def
(
"setHKL"
,
(
void
(
IPeak
::*
)(
double
,
double
,
double
))
&
IPeak
::
setHKL
,
(
arg
(
"self"
),
arg
(
"h"
),
arg
(
"k"
),
arg
(
"l"
)),
"Set the HKL values of this peak"
)
...
...
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