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This is an archived project. Repository and other project resources are read-only.
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nomad-lab
parser-gpaw
Commits
883c9a85
Commit
883c9a85
authored
9 years ago
by
Jens J. Mortensen
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Tar file reader
parent
af38582e
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parser/parser-gpaw/tar.py
+61
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parser/parser-gpaw/tar.py
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and
0 deletions
parser/parser-gpaw/tar.py
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View file @
883c9a85
import
tarfile
import
xml.etree.ElementTree
as
ElementTree
import
numpy
as
np
class
Reader
:
def
__init__
(
self
,
name
):
self
.
dims
=
{}
self
.
shapes
=
{}
self
.
dtypes
=
{}
self
.
parameters
=
{}
self
.
tar
=
tarfile
.
open
(
name
,
'
r
'
)
f
=
self
.
tar
.
extractfile
(
'
info.xml
'
).
read
()
root
=
ElementTree
.
fromstring
(
f
)
self
.
byteswap
=
((
root
.
attrib
[
'
endianness
'
]
==
'
little
'
)
!=
np
.
little_endian
)
for
child
in
root
:
a
=
child
.
attrib
if
child
.
tag
==
'
parameter
'
:
try
:
value
=
eval
(
a
[
'
value
'
],
{})
except
(
SyntaxError
,
NameError
):
value
=
str
(
a
[
'
value
'
])
self
.
parameters
[
a
[
'
name
'
]]
=
value
elif
child
.
tag
==
'
array
'
:
name
=
a
[
'
name
'
]
self
.
dtypes
[
name
]
=
a
[
'
type
'
]
self
.
shapes
[
name
]
=
[]
for
dim
in
child
:
n
=
int
(
dim
.
attrib
[
'
length
'
])
self
.
shapes
[
name
].
append
(
n
)
self
.
dims
[
dim
.
attrib
[
'
name
'
]]
=
n
def
__getattr__
(
self
,
name
):
if
name
in
self
.
parameters
:
return
self
.
parameters
[
name
]
else
:
return
self
.
get_array
(
name
)
def
get_array
(
self
,
name
):
fileobj
=
self
.
tar
.
extractfile
(
name
)
shape
=
self
.
shapes
[
name
]
dtype
=
self
.
dtypes
[
name
]
dtype
=
np
.
dtype
({
'
int
'
:
'
int32
'
}.
get
(
dtype
,
dtype
))
size
=
np
.
prod
(
shape
)
*
dtype
.
itemsize
array
=
np
.
fromstring
(
fileobj
.
read
(
size
),
dtype
)
if
self
.
byteswap
:
array
=
array
.
byteswap
()
if
dtype
==
np
.
int32
:
array
=
np
.
asarray
(
array
,
int
)
array
.
shape
=
shape
return
array
def
close
(
self
):
self
.
tar
.
close
()
if
__name__
==
'
__main__
'
:
r
=
Reader
(
'
H2.gpw
'
)
print
(
r
.
Eigenvalues
,
r
.
FermiLevel
,
r
.
UnitCell
)
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