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mantidproject
mantid
Commits
fe5eb775
Commit
fe5eb775
authored
Nov 29, 2011
by
Karl Palmen
Browse files
Now it saves nine columns into Nexus re #4137
Signed-off-by:
Karl Palmen
<
karl.palmen@stfc.ac.uk
>
parent
7b9b114e
Changes
1
Hide whitespace changes
Inline
Side-by-side
Code/Mantid/Framework/DataObjects/src/PeaksWorkspace.cpp
View file @
fe5eb775
...
...
@@ -253,16 +253,109 @@ namespace DataObjects
std
::
vector
<
int
>
detectorID
;
std
::
vector
<
double
>
H
;
for
(
size_t
i
=
0
;
i
<
peaks
.
size
();
i
++
)
std
::
vector
<
double
>
K
;
std
::
vector
<
double
>
L
;
std
::
vector
<
double
>
intensity
;
std
::
vector
<
double
>
sigmaIntensity
;
std
::
vector
<
double
>
binCount
;
std
::
vector
<
double
>
initialEnergy
;
std
::
vector
<
double
>
finalEnergy
;
// etc.
for
(
size_t
i
=
0
;
i
<
peaks
.
size
();
i
++
)
{
Peak
p
=
peaks
[
i
];
detectorID
.
push_back
(
p
.
getDetectorID
()
);
H
.
push_back
(
p
.
getH
()
);
detectorID
.
push_back
(
p
.
getDetectorID
()
);
H
.
push_back
(
p
.
getH
()
);
K
.
push_back
(
p
.
getK
()
);
L
.
push_back
(
p
.
getL
()
);
intensity
.
push_back
(
p
.
getIntensity
()
);
sigmaIntensity
.
push_back
(
p
.
getSigmaIntensity
()
);
binCount
.
push_back
(
p
.
getBinCount
()
);
initialEnergy
.
push_back
(
p
.
getInitialEnergy
()
);
finalEnergy
.
push_back
(
p
.
getFinalEnergy
()
);
// etc.
}
file
->
writeData
(
"detector_id"
,
detectorID
);
file
->
writeData
(
"H"
,
H
);
// Start Peaks Workspace
file
->
makeGroup
(
"peaks workspace"
,
"NXentry"
,
true
);
// Detectors column
file
->
writeData
(
"column_1"
,
detectorID
);
file
->
openData
(
"column_1"
);
file
->
putAttr
(
"name"
,
"Dectector ID"
);
file
->
putAttr
(
"interpret_as"
,
"An integer"
);
file
->
putAttr
(
"units"
,
"Not known"
);
file
->
closeData
();
// H column
file
->
writeData
(
"column_2"
,
H
);
file
->
openData
(
"column_2"
);
file
->
putAttr
(
"name"
,
"H"
);
file
->
putAttr
(
"interpret_as"
,
"A double"
);
file
->
putAttr
(
"units"
,
"Not known"
);
// Units may need changing when known
file
->
closeData
();
// K column
file
->
writeData
(
"column_3"
,
K
);
file
->
openData
(
"column_3"
);
file
->
putAttr
(
"name"
,
"K"
);
file
->
putAttr
(
"interpret_as"
,
"A double"
);
file
->
putAttr
(
"units"
,
"Not known"
);
// Units may need changing when known
file
->
closeData
();
// L column
file
->
writeData
(
"column_4"
,
L
);
file
->
openData
(
"column_4"
);
file
->
putAttr
(
"name"
,
"L"
);
file
->
putAttr
(
"interpret_as"
,
"A double"
);
file
->
putAttr
(
"units"
,
"Not known"
);
// Units may need changing when known
file
->
closeData
();
// Intensity column
file
->
writeData
(
"column_5"
,
intensity
);
file
->
openData
(
"column_5"
);
file
->
putAttr
(
"name"
,
"Intensity"
);
file
->
putAttr
(
"interpret_as"
,
"A double"
);
file
->
putAttr
(
"units"
,
"Not known"
);
// Units may need changing when known
file
->
closeData
();
// Sigma Intensity column
file
->
writeData
(
"column_6"
,
sigmaIntensity
);
file
->
openData
(
"column_6"
);
file
->
putAttr
(
"name"
,
"Sigma Intensity"
);
file
->
putAttr
(
"interpret_as"
,
"A double"
);
file
->
putAttr
(
"units"
,
"Not known"
);
// Units may need changing when known
file
->
closeData
();
// Bin Count column
file
->
writeData
(
"column_7"
,
binCount
);
file
->
openData
(
"column_7"
);
file
->
putAttr
(
"name"
,
"Bin Count"
);
file
->
putAttr
(
"interpret_as"
,
"A double"
);
file
->
putAttr
(
"units"
,
"Not known"
);
// Units may need changing when known
file
->
closeData
();
// Initial Energy column
file
->
writeData
(
"column_8"
,
initialEnergy
);
file
->
openData
(
"column_8"
);
file
->
putAttr
(
"name"
,
"Initial Energy"
);
file
->
putAttr
(
"interpret_as"
,
"A double"
);
file
->
putAttr
(
"units"
,
"Not known"
);
// Units may need changing when known
file
->
closeData
();
// Final Energy column
file
->
writeData
(
"column_9"
,
finalEnergy
);
file
->
openData
(
"column_9"
);
file
->
putAttr
(
"name"
,
"Final Energy"
);
file
->
putAttr
(
"interpret_as"
,
"A double"
);
file
->
putAttr
(
"units"
,
"Not known"
);
// Units may need changing when known
file
->
closeData
();
// etc.
file
->
closeGroup
();
// end of peaks workpace
}
}
}
...
...
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