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nomad-lab
nomad-FAIR
Commits
0b43b253
Commit
0b43b253
authored
May 20, 2021
by
Alvin Noe Ladines
Browse files
Linting fixes
parent
08a3f62c
Pipeline
#101822
passed with stages
in 24 minutes and 25 seconds
Changes
4
Pipelines
1
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2e92ba01
Subproject commit
164d8567dfdee9bdeae752e30f7fef80623abb8e
Subproject commit
2e92ba01c0e62ad9e6cb8b44cefc0e2391b67a3f
nomad/app/flask/api/metainfo.py
View file @
0b43b253
...
...
@@ -44,10 +44,7 @@ class AllMetainfoResource(Resource):
'''
Returns all metainfo packages.
'''
# Ensure all metainfo is loaded
for
parser
in
parsers
:
_
=
parser
.
metainfo_env
_
=
[
parser
for
parser
in
parsers
]
return
{
key
:
value
.
m_to_dict
()
for
key
,
value
in
Package
.
registry
.
items
()}
...
...
nomad/cli/dev.py
View file @
0b43b253
...
...
@@ -80,7 +80,6 @@ def metainfo_undecorated():
import
nomad.datamodel.ems
import
nomad.datamodel.optimade
import
nomad.datamodel.encyclopedia
from
nomad.parsing
import
LegacyParser
nomad
.
metainfo
.
metainfo
.
m_package
.
__init_metainfo__
()
nomad
.
datamodel
.
datamodel
.
m_package
.
__init_metainfo__
()
nomad
.
datamodel
.
dft
.
m_package
.
__init_metainfo__
()
# pylint: disable=no-member
...
...
@@ -88,12 +87,6 @@ def metainfo_undecorated():
nomad
.
datamodel
.
optimade
.
m_package
.
__init_metainfo__
()
# pylint: disable=no-member
nomad
.
datamodel
.
encyclopedia
.
m_package
.
__init_metainfo__
()
# Ensure all parser metainfo is loaded
from
nomad.parsing.parsers
import
parsers
for
parser
in
parsers
:
if
isinstance
(
parser
,
LegacyParser
):
_
=
parser
.
metainfo_env
export
=
Environment
()
for
package
in
Package
.
registry
.
values
():
export
.
m_add_sub_section
(
Environment
.
packages
,
package
)
...
...
nomad/normalizing/system.py
View file @
0b43b253
...
...
@@ -18,7 +18,6 @@
from
typing
import
Any
,
Dict
from
nptyping
import
NDArray
from
collections
import
Counter
import
ase
from
ase
import
Atoms
import
numpy
as
np
...
...
@@ -59,8 +58,7 @@ def formula_normalizer(atoms):
e.g., Tc -> Tc100, SZn -> S50Zn50, Co2Nb -> Co67Nb33
'''
#
chem_symb
=
atoms
.
get_chemical_symbols
()
atoms_counter
=
Counter
(
chem_symb
)
# dictionary
atoms_counter
=
atoms
.
symbols
.
formula
.
count
()
# dictionary
atoms_total
=
sum
(
atoms_counter
.
values
())
atoms_normed
=
[]
...
...
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