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mantidproject
mantid
Commits
577932dd
Commit
577932dd
authored
7 years ago
by
dymkowsk
Browse files
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Plain Diff
Temperature [K] -> TemperatureInKelvin. BinWidth [cm^-1] -> BinWidthInWavenumber.
parent
5c1e8552
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Framework/PythonInterface/plugins/algorithms/Abins.py
+8
-8
8 additions, 8 deletions
Framework/PythonInterface/plugins/algorithms/Abins.py
with
8 additions
and
8 deletions
Framework/PythonInterface/plugins/algorithms/Abins.py
+
8
−
8
View file @
577932dd
...
@@ -68,12 +68,12 @@ class Abins(PythonAlgorithm):
...
@@ -68,12 +68,12 @@ class Abins(PythonAlgorithm):
extensions
=
[
"
raw
"
,
"
dat
"
]),
extensions
=
[
"
raw
"
,
"
dat
"
]),
doc
=
"
File with the experimental inelastic spectrum to compare.
"
)
doc
=
"
File with the experimental inelastic spectrum to compare.
"
)
self
.
declareProperty
(
name
=
"
Temperature
[K]
"
,
self
.
declareProperty
(
name
=
"
Temperature
InKelvin
"
,
direction
=
Direction
.
Input
,
direction
=
Direction
.
Input
,
defaultValue
=
10.0
,
defaultValue
=
10.0
,
doc
=
"
Temperature in K for which dynamical structure factor S should be calculated.
"
)
doc
=
"
Temperature in K for which dynamical structure factor S should be calculated.
"
)
self
.
declareProperty
(
name
=
"
BinWidth
"
,
defaultValue
=
1.0
,
doc
=
"
Width of bins used during rebining.
"
)
self
.
declareProperty
(
name
=
"
BinWidth
InWavenumber
"
,
defaultValue
=
1.0
,
doc
=
"
Width of bins used during rebining.
"
)
self
.
declareProperty
(
name
=
"
Scale
"
,
defaultValue
=
1.0
,
self
.
declareProperty
(
name
=
"
Scale
"
,
defaultValue
=
1.0
,
doc
=
'
Scale the intensity by the given factor. Default is no scaling.
'
)
doc
=
'
Scale the intensity by the given factor. Default is no scaling.
'
)
...
@@ -125,17 +125,17 @@ class Abins(PythonAlgorithm):
...
@@ -125,17 +125,17 @@ class Abins(PythonAlgorithm):
issues
=
dict
()
issues
=
dict
()
temperature
=
self
.
getProperty
(
"
Temperature
[K]
"
).
value
temperature
=
self
.
getProperty
(
"
Temperature
InKelvin
"
).
value
if
temperature
<
0
:
if
temperature
<
0
:
issues
[
"
Temperature
[K]
"
]
=
"
Temperature must be positive.
"
issues
[
"
Temperature
InKelvin
"
]
=
"
Temperature must be positive.
"
scale
=
self
.
getProperty
(
"
Scale
"
).
value
scale
=
self
.
getProperty
(
"
Scale
"
).
value
if
scale
<
0
:
if
scale
<
0
:
issues
[
"
Scale
"
]
=
"
Scale must be positive.
"
issues
[
"
Scale
"
]
=
"
Scale must be positive.
"
bin_width
=
self
.
getProperty
(
"
BinWidth
[cm^-1]
"
)
bin_width
=
self
.
getProperty
(
"
BinWidth
InWavenumber
"
)
if
not
(
isinstance
(
bin_width
,
float
)
and
1.0
<=
bin_width
<=
10.0
):
if
not
(
isinstance
(
bin_width
,
float
)
and
1.0
<=
bin_width
<=
10.0
):
issues
[
"
BinWidth
"
]
=
[
"
Invalid bin width. Valid range is [1.0, 10.0] cm^-1
"
]
issues
[
"
BinWidth
InWavenumber
"
]
=
[
"
Invalid bin width. Valid range is [1.0, 10.0] cm^-1
"
]
dft_program
=
self
.
getProperty
(
"
DFTprogram
"
).
value
dft_program
=
self
.
getProperty
(
"
DFTprogram
"
).
value
phonon_filename
=
self
.
getProperty
(
"
PhononFile
"
).
value
phonon_filename
=
self
.
getProperty
(
"
PhononFile
"
).
value
...
@@ -726,8 +726,8 @@ class Abins(PythonAlgorithm):
...
@@ -726,8 +726,8 @@ class Abins(PythonAlgorithm):
self
.
_dft_program
=
self
.
getProperty
(
"
DFTprogram
"
).
value
self
.
_dft_program
=
self
.
getProperty
(
"
DFTprogram
"
).
value
self
.
_phonon_file
=
self
.
getProperty
(
"
PhononFile
"
).
value
self
.
_phonon_file
=
self
.
getProperty
(
"
PhononFile
"
).
value
self
.
_experimental_file
=
self
.
getProperty
(
"
ExperimentalFile
"
).
value
self
.
_experimental_file
=
self
.
getProperty
(
"
ExperimentalFile
"
).
value
self
.
_temperature
=
self
.
getProperty
(
"
Temperature
[K]
"
).
value
self
.
_temperature
=
self
.
getProperty
(
"
Temperature
InKelvin
"
).
value
self
.
_bin_width
=
self
.
getProperty
(
"
BinWidth
[cm^-1]
"
)
self
.
_bin_width
=
self
.
getProperty
(
"
BinWidth
InWavenumber
"
).
value
self
.
_scale
=
self
.
getProperty
(
"
Scale
"
).
value
self
.
_scale
=
self
.
getProperty
(
"
Scale
"
).
value
self
.
_sample_form
=
self
.
getProperty
(
"
SampleForm
"
).
value
self
.
_sample_form
=
self
.
getProperty
(
"
SampleForm
"
).
value
...
...
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