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mantidproject
mantid
Commits
c805cf06
Commit
c805cf06
authored
Sep 16, 2019
by
Martyn Gigg
Browse files
Remove unused resetHKL method.
Refs #26829
parent
56649237
Changes
4
Hide whitespace changes
Inline
Side-by-side
Framework/DataObjects/inc/MantidDataObjects/Peak.h
View file @
c805cf06
...
...
@@ -105,6 +105,7 @@ public:
double
getL
()
const
override
;
Mantid
::
Kernel
::
V3D
getHKL
()
const
override
;
Mantid
::
Kernel
::
V3D
getIntHKL
()
const
override
;
Mantid
::
Kernel
::
V3D
getIntMNP
()
const
override
;
void
setH
(
double
m_H
)
override
;
void
setK
(
double
m_K
)
override
;
void
setL
(
double
m_L
)
override
;
...
...
@@ -112,9 +113,9 @@ public:
void
setHKL
(
double
H
,
double
K
,
double
L
)
override
;
void
setHKL
(
const
Mantid
::
Kernel
::
V3D
&
HKL
)
override
;
void
setIntHKL
(
const
Mantid
::
Kernel
::
V3D
HKL
)
override
;
void
setIntMNP
(
const
Mantid
::
Kernel
::
V3D
&
MNP
)
override
;
void
setSamplePos
(
double
samX
,
double
samY
,
double
samZ
)
override
;
void
setSamplePos
(
const
Mantid
::
Kernel
::
V3D
&
XYZ
)
override
;
void
resetHKL
();
Mantid
::
Kernel
::
V3D
getQLabFrame
()
const
override
;
Mantid
::
Kernel
::
V3D
getQSampleFrame
()
const
override
;
...
...
@@ -162,8 +163,6 @@ public:
void
setCol
(
int
m_col
);
void
setPeakNumber
(
int
m_peakNumber
)
override
;
int
getPeakNumber
()
const
override
;
void
setIntMNP
(
const
Mantid
::
Kernel
::
V3D
MNP
)
override
;
Mantid
::
Kernel
::
V3D
getIntMNP
()
const
override
;
virtual
Mantid
::
Kernel
::
V3D
getDetPos
()
const
override
;
virtual
Mantid
::
Kernel
::
V3D
getSamplePos
()
const
override
;
...
...
@@ -253,17 +252,9 @@ private:
/// Cached detector position
Mantid
::
Kernel
::
V3D
detPos
;
/// save values before setHKL is called for use in SortHKL
double
m_orig_H
;
double
m_orig_K
;
double
m_orig_L
;
// keep peak number
int
m_peakNumber
;
Mantid
::
Kernel
::
V3D
m_IntHKL
;
Mantid
::
Kernel
::
V3D
m_IntMNP
;
/// integer HKL of the peak
Mantid
::
Kernel
::
V3D
m_intHKL
;
Mantid
::
Kernel
::
V3D
m_intMNP
;
/// List of contributing detectors IDs
std
::
set
<
int
>
m_detIDs
;
...
...
Framework/DataObjects/src/Peak.cpp
View file @
c805cf06
...
...
@@ -35,9 +35,8 @@ Peak::Peak()
m_sigmaIntensity
(
0
),
m_binCount
(
0
),
m_initialEnergy
(
0.
),
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_IntHKL
(
V3D
(
0
,
0
,
0
)),
m_IntMNP
(
V3D
(
0
,
0
,
0
)),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
m_row
(
-
1
),
m_col
(
-
1
),
m_peakNumber
(
0
),
m_intHKL
(
V3D
(
0
,
0
,
0
)),
m_intMNP
(
V3D
(
0
,
0
,
0
)),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
}
...
...
@@ -57,8 +56,7 @@ Peak::Peak(const Geometry::Instrument_const_sptr &m_inst,
:
m_H
(
0
),
m_K
(
0
),
m_L
(
0
),
m_intensity
(
0
),
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_IntHKL
(
V3D
(
0
,
0
,
0
)),
m_IntMNP
(
V3D
(
0
,
0
,
0
)),
m_peakNumber
(
0
),
m_intHKL
(
V3D
(
0
,
0
,
0
)),
m_intMNP
(
V3D
(
0
,
0
,
0
)),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
this
->
setInstrument
(
m_inst
);
...
...
@@ -85,8 +83,7 @@ Peak::Peak(const Geometry::Instrument_const_sptr &m_inst,
:
m_H
(
0
),
m_K
(
0
),
m_L
(
0
),
m_intensity
(
0
),
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_IntHKL
(
V3D
(
0
,
0
,
0
)),
m_IntMNP
(
V3D
(
0
,
0
,
0
)),
m_peakNumber
(
0
),
m_intHKL
(
V3D
(
0
,
0
,
0
)),
m_intMNP
(
V3D
(
0
,
0
,
0
)),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
if
(
fabs
(
m_InverseGoniometerMatrix
.
Invert
())
<
1e-8
)
...
...
@@ -109,8 +106,7 @@ Peak::Peak(const Geometry::Instrument_const_sptr &m_inst, int m_detectorID,
:
m_H
(
0
),
m_K
(
0
),
m_L
(
0
),
m_intensity
(
0
),
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_IntHKL
(
V3D
(
0
,
0
,
0
)),
m_IntMNP
(
V3D
(
0
,
0
,
0
)),
m_peakNumber
(
0
),
m_intHKL
(
V3D
(
0
,
0
,
0
)),
m_intMNP
(
V3D
(
0
,
0
,
0
)),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
this
->
setInstrument
(
m_inst
);
...
...
@@ -132,8 +128,7 @@ Peak::Peak(const Geometry::Instrument_const_sptr &m_inst, int m_detectorID,
:
m_H
(
HKL
[
0
]),
m_K
(
HKL
[
1
]),
m_L
(
HKL
[
2
]),
m_intensity
(
0
),
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_IntHKL
(
V3D
(
0
,
0
,
0
)),
m_IntMNP
(
V3D
(
0
,
0
,
0
)),
m_peakNumber
(
0
),
m_intHKL
(
V3D
(
0
,
0
,
0
)),
m_intMNP
(
V3D
(
0
,
0
,
0
)),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
this
->
setInstrument
(
m_inst
);
...
...
@@ -157,8 +152,7 @@ Peak::Peak(const Geometry::Instrument_const_sptr &m_inst, int m_detectorID,
:
m_H
(
HKL
[
0
]),
m_K
(
HKL
[
1
]),
m_L
(
HKL
[
2
]),
m_intensity
(
0
),
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_IntHKL
(
V3D
(
0
,
0
,
0
)),
m_IntMNP
(
V3D
(
0
,
0
,
0
)),
m_peakNumber
(
0
),
m_intHKL
(
V3D
(
0
,
0
,
0
)),
m_intMNP
(
V3D
(
0
,
0
,
0
)),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
if
(
fabs
(
m_InverseGoniometerMatrix
.
Invert
())
<
1e-8
)
...
...
@@ -181,8 +175,7 @@ Peak::Peak(const Geometry::Instrument_const_sptr &m_inst, double scattering,
:
m_H
(
0
),
m_K
(
0
),
m_L
(
0
),
m_intensity
(
0
),
m_sigmaIntensity
(
0
),
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_IntHKL
(
V3D
(
0
,
0
,
0
)),
m_IntMNP
(
V3D
(
0
,
0
,
0
)),
m_row
(
-
1
),
m_col
(
-
1
),
m_intHKL
(
V3D
(
0
,
0
,
0
)),
m_intMNP
(
V3D
(
0
,
0
,
0
)),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
this
->
setInstrument
(
m_inst
);
...
...
@@ -210,11 +203,9 @@ Peak::Peak(const Peak &other)
m_runNumber
(
other
.
m_runNumber
),
m_monitorCount
(
other
.
m_monitorCount
),
m_row
(
other
.
m_row
),
m_col
(
other
.
m_col
),
sourcePos
(
other
.
sourcePos
),
samplePos
(
other
.
samplePos
),
detPos
(
other
.
detPos
),
m_orig_H
(
other
.
m_orig_H
),
m_orig_K
(
other
.
m_orig_K
),
m_orig_L
(
other
.
m_orig_L
),
m_peakNumber
(
other
.
m_peakNumber
),
m_IntHKL
(
other
.
m_IntHKL
),
m_IntMNP
(
other
.
m_IntMNP
),
m_detIDs
(
other
.
m_detIDs
),
m_peakShape
(
other
.
m_peakShape
->
clone
()),
convention
(
other
.
convention
)
{}
m_peakNumber
(
other
.
m_peakNumber
),
m_intHKL
(
other
.
m_intHKL
),
m_intMNP
(
other
.
m_intMNP
),
m_detIDs
(
other
.
m_detIDs
),
m_peakShape
(
other
.
m_peakShape
->
clone
()),
convention
(
other
.
convention
)
{}
//----------------------------------------------------------------------------------------------
/** Constructor making a Peak from IPeak interface
...
...
@@ -233,9 +224,9 @@ Peak::Peak(const Geometry::IPeak &ipeak)
m_InverseGoniometerMatrix
(
ipeak
.
getGoniometerMatrix
()),
m_runNumber
(
ipeak
.
getRunNumber
()),
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_
I
nt
HKL
(
ipeak
.
getInt
HKL
()),
m_IntMNP
(
ipeak
.
getIntMNP
()),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
m_col
(
ipeak
.
getCol
()),
m_
peakNumber
(
ipeak
.
getPeakNumber
()
),
m_
intHKL
(
ipeak
.
getIntHKL
()),
m_
i
nt
MNP
(
ipeak
.
getInt
MNP
()),
m_peakShape
(
boost
::
make_shared
<
NoShape
>
())
{
convention
=
Kernel
::
ConfigService
::
Instance
().
getString
(
"Q.convention"
);
if
(
fabs
(
m_InverseGoniometerMatrix
.
Invert
())
<
1e-8
)
throw
std
::
invalid_argument
(
...
...
@@ -770,7 +761,10 @@ 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
m_IntHKL
;
}
Mantid
::
Kernel
::
V3D
Peak
::
getIntHKL
()
const
{
return
m_intHKL
;
}
/** Return the int MNP vector */
V3D
Peak
::
getIntMNP
()
const
{
return
m_intMNP
;
}
//----------------------------------------------------------------------------------------------
/** Set the H index of this peak
...
...
@@ -793,35 +787,16 @@ void Peak::setBankName(std::string m_bankName) {
/** Set all three H,K,L indices of the peak */
void
Peak
::
setHKL
(
double
H
,
double
K
,
double
L
)
{
if
(
m_orig_H
==
0
&&
m_orig_K
==
0
&&
m_orig_L
==
0
)
{
m_orig_H
=
m_H
;
m_orig_K
=
m_K
;
m_orig_L
=
m_L
;
}
m_H
=
H
;
m_K
=
K
;
m_L
=
L
;
}
/** Reset all three H,K,L indices of the peak to values before setHKL */
void
Peak
::
resetHKL
()
{
if
(
m_orig_H
==
0
&&
m_orig_K
==
0
&&
m_orig_L
==
0
)
return
;
m_H
=
m_orig_H
;
m_K
=
m_orig_K
;
m_L
=
m_orig_L
;
}
/** Set all HKL
*
* @param HKL :: vector with x,y,z -> h,k,l
*/
void
Peak
::
setHKL
(
const
Mantid
::
Kernel
::
V3D
&
HKL
)
{
if
(
m_orig_H
==
0
&&
m_orig_K
==
0
&&
m_orig_L
==
0
)
{
m_orig_H
=
m_H
;
m_orig_K
=
m_K
;
m_orig_L
=
m_L
;
}
m_H
=
HKL
.
X
();
m_K
=
HKL
.
Y
();
m_L
=
HKL
.
Z
();
...
...
@@ -832,10 +807,18 @@ void Peak::setHKL(const Mantid::Kernel::V3D &HKL) {
* @param HKL :: vector with integer x,y,z -> h,k,l
*/
void
Peak
::
setIntHKL
(
V3D
HKL
)
{
m_
I
ntHKL
=
V3D
(
boost
::
math
::
iround
(
HKL
[
0
]),
boost
::
math
::
iround
(
HKL
[
1
]),
m_
i
ntHKL
=
V3D
(
boost
::
math
::
iround
(
HKL
[
0
]),
boost
::
math
::
iround
(
HKL
[
1
]),
boost
::
math
::
iround
(
HKL
[
2
]));
}
/** Sets the modulated peak structure number
* @param MNP :: modulated peak structure value
*/
void
Peak
::
setIntMNP
(
const
V3D
&
MNP
)
{
m_intMNP
=
V3D
(
boost
::
math
::
iround
(
MNP
[
0
]),
boost
::
math
::
iround
(
MNP
[
1
]),
boost
::
math
::
iround
(
MNP
[
2
]));
}
/** Set sample position
*
* @ doubles x,y,z-> samplePos(x), samplePos(y), samplePos(z)
...
...
@@ -946,11 +929,6 @@ int Peak::getCol() const { return m_col; }
* Returns -1 if it could not find it. */
int
Peak
::
getPeakNumber
()
const
{
return
m_peakNumber
;
}
// -------------------------------------------------------------------------------------
/**Returns the unique peak number
* Returns -1 if it could not find it. */
V3D
Peak
::
getIntMNP
()
const
{
return
m_IntMNP
;
}
// -------------------------------------------------------------------------------------
/** For RectangularDetectors only, sets the row (y) of the pixel of the
* detector.
...
...
@@ -970,14 +948,6 @@ void Peak::setPeakNumber(int m_peakNumber) {
this
->
m_peakNumber
=
m_peakNumber
;
}
// -------------------------------------------------------------------------------------
/** Sets the modulated peak structure number
* @param MNP :: modulated peak structure value */
void
Peak
::
setIntMNP
(
V3D
MNP
)
{
m_IntMNP
=
V3D
(
boost
::
math
::
iround
(
MNP
[
0
]),
boost
::
math
::
iround
(
MNP
[
1
]),
boost
::
math
::
iround
(
MNP
[
2
]));
}
// -------------------------------------------------------------------------------------
/** Return the detector position vector */
Mantid
::
Kernel
::
V3D
Peak
::
getDetPos
()
const
{
return
detPos
;
}
...
...
@@ -1091,12 +1061,9 @@ Peak &Peak::operator=(const Peak &other) {
sourcePos
=
other
.
sourcePos
;
samplePos
=
other
.
samplePos
;
detPos
=
other
.
detPos
;
m_orig_H
=
other
.
m_orig_H
;
m_orig_K
=
other
.
m_orig_K
;
m_orig_L
=
other
.
m_orig_L
;
m_detIDs
=
other
.
m_detIDs
;
m_
I
ntHKL
=
other
.
m_
I
ntHKL
;
m_
I
ntMNP
=
other
.
m_
I
ntMNP
;
m_
i
ntHKL
=
other
.
m_
i
ntHKL
;
m_
i
ntMNP
=
other
.
m_
i
ntMNP
;
convention
=
other
.
convention
;
m_peakShape
.
reset
(
other
.
m_peakShape
->
clone
());
}
...
...
Framework/Geometry/inc/MantidGeometry/Crystal/IPeak.h
View file @
c805cf06
...
...
@@ -94,7 +94,7 @@ public:
virtual
void
setPeakNumber
(
int
m_PeakNumber
)
=
0
;
virtual
Mantid
::
Kernel
::
V3D
getIntMNP
()
const
=
0
;
virtual
void
setIntMNP
(
const
Mantid
::
Kernel
::
V3D
MNP
)
=
0
;
virtual
void
setIntMNP
(
const
Mantid
::
Kernel
::
V3D
&
MNP
)
=
0
;
virtual
Mantid
::
Kernel
::
Matrix
<
double
>
getGoniometerMatrix
()
const
=
0
;
virtual
void
setGoniometerMatrix
(
...
...
Framework/Geometry/test/MockObjects.h
View file @
c805cf06
...
...
@@ -76,7 +76,7 @@ public:
MOCK_CONST_METHOD0
(
getIntMNP
,
Mantid
::
Kernel
::
V3D
());
MOCK_METHOD1
(
setRunNumber
,
void
(
int
m_RunNumber
));
MOCK_METHOD1
(
setPeakNumber
,
void
(
int
m_PeakNumber
));
MOCK_METHOD1
(
setIntMNP
,
void
(
const
Mantid
::
Kernel
::
V3D
m_modStru
));
MOCK_METHOD1
(
setIntMNP
,
void
(
const
Mantid
::
Kernel
::
V3D
&
m_modStru
));
MOCK_CONST_METHOD0
(
getMonitorCount
,
double
());
MOCK_METHOD1
(
setMonitorCount
,
void
(
double
m_MonitorCount
));
MOCK_CONST_METHOD0
(
getH
,
double
());
...
...
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