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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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@
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164d8567
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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):
...
@@ -44,10 +44,7 @@ class AllMetainfoResource(Resource):
'''
'''
Returns all metainfo packages.
Returns all metainfo packages.
'''
'''
# Ensure all metainfo is loaded
_
=
[
parser
for
parser
in
parsers
]
for
parser
in
parsers
:
_
=
parser
.
metainfo_env
return
{
return
{
key
:
value
.
m_to_dict
()
key
:
value
.
m_to_dict
()
for
key
,
value
in
Package
.
registry
.
items
()}
for
key
,
value
in
Package
.
registry
.
items
()}
...
...
nomad/cli/dev.py
View file @
0b43b253
...
@@ -80,7 +80,6 @@ def metainfo_undecorated():
...
@@ -80,7 +80,6 @@ def metainfo_undecorated():
import
nomad.datamodel.ems
import
nomad.datamodel.ems
import
nomad.datamodel.optimade
import
nomad.datamodel.optimade
import
nomad.datamodel.encyclopedia
import
nomad.datamodel.encyclopedia
from
nomad.parsing
import
LegacyParser
nomad
.
metainfo
.
metainfo
.
m_package
.
__init_metainfo__
()
nomad
.
metainfo
.
metainfo
.
m_package
.
__init_metainfo__
()
nomad
.
datamodel
.
datamodel
.
m_package
.
__init_metainfo__
()
nomad
.
datamodel
.
datamodel
.
m_package
.
__init_metainfo__
()
nomad
.
datamodel
.
dft
.
m_package
.
__init_metainfo__
()
# pylint: disable=no-member
nomad
.
datamodel
.
dft
.
m_package
.
__init_metainfo__
()
# pylint: disable=no-member
...
@@ -88,12 +87,6 @@ def metainfo_undecorated():
...
@@ -88,12 +87,6 @@ def metainfo_undecorated():
nomad
.
datamodel
.
optimade
.
m_package
.
__init_metainfo__
()
# pylint: disable=no-member
nomad
.
datamodel
.
optimade
.
m_package
.
__init_metainfo__
()
# pylint: disable=no-member
nomad
.
datamodel
.
encyclopedia
.
m_package
.
__init_metainfo__
()
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
()
export
=
Environment
()
for
package
in
Package
.
registry
.
values
():
for
package
in
Package
.
registry
.
values
():
export
.
m_add_sub_section
(
Environment
.
packages
,
package
)
export
.
m_add_sub_section
(
Environment
.
packages
,
package
)
...
...
nomad/normalizing/system.py
View file @
0b43b253
...
@@ -18,7 +18,6 @@
...
@@ -18,7 +18,6 @@
from
typing
import
Any
,
Dict
from
typing
import
Any
,
Dict
from
nptyping
import
NDArray
from
nptyping
import
NDArray
from
collections
import
Counter
import
ase
import
ase
from
ase
import
Atoms
from
ase
import
Atoms
import
numpy
as
np
import
numpy
as
np
...
@@ -59,8 +58,7 @@ def formula_normalizer(atoms):
...
@@ -59,8 +58,7 @@ def formula_normalizer(atoms):
e.g., Tc -> Tc100, SZn -> S50Zn50, Co2Nb -> Co67Nb33
e.g., Tc -> Tc100, SZn -> S50Zn50, Co2Nb -> Co67Nb33
'''
'''
#
#
chem_symb
=
atoms
.
get_chemical_symbols
()
atoms_counter
=
atoms
.
symbols
.
formula
.
count
()
# dictionary
atoms_counter
=
Counter
(
chem_symb
)
# dictionary
atoms_total
=
sum
(
atoms_counter
.
values
())
atoms_total
=
sum
(
atoms_counter
.
values
())
atoms_normed
=
[]
atoms_normed
=
[]
...
...
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