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Scientific Software
MDANSE
Commits
38ccaf6c
Commit
38ccaf6c
authored
Jan 24, 2019
by
Remi Perenon
Browse files
Allowing user to launch job with qvector parameters
parent
889a4d55
Pipeline
#4772
passed with stages
in 12 minutes and 26 seconds
Changes
1
Pipelines
1
Hide whitespace changes
Inline
Side-by-side
Src/Framework/Configurators/QVectorsConfigurator.py
View file @
38ccaf6c
...
...
@@ -49,28 +49,35 @@ class QVectorsConfigurator(IConfigurator):
'''
trajConfig
=
self
.
_configurable
[
self
.
_dependencies
[
'trajectory'
]]
if
UD_STORE
.
has_definition
(
trajConfig
[
"basename"
],
"q_vectors"
,
value
):
ud
=
UD_STORE
.
get_definition
(
trajConfig
[
"basename"
],
"q_vectors"
,
value
)
self
[
"parameters"
]
=
ud
[
'parameters'
]
self
[
"type"
]
=
ud
[
'generator'
]
self
[
"is_lattice"
]
=
ud
[
'is_lattice'
]
self
[
"q_vectors"
]
=
ud
[
'q_vectors'
]
if
isinstance
(
value
,
basestring
):
if
UD_STORE
.
has_definition
(
trajConfig
[
"basename"
],
"q_vectors"
,
value
):
ud
=
UD_STORE
.
get_definition
(
trajConfig
[
"basename"
],
"q_vectors"
,
value
)
self
[
"parameters"
]
=
ud
[
'parameters'
]
self
[
"type"
]
=
ud
[
'generator'
]
self
[
"is_lattice"
]
=
ud
[
'is_lattice'
]
self
[
"q_vectors"
]
=
ud
[
'q_vectors'
]
else
:
raise
ConfiguratorError
(
"Q vectors user definition %s is not stored on this machine"
%
value
,
self
)
else
:
generator
,
parameters
=
value
generator
=
REGISTRY
[
"q_vectors"
][
generator
](
trajConfig
[
"universe"
])
generator
.
setup
(
parameters
)
generator
.
generate
()
if
not
generator
.
configuration
[
'q_vectors'
]:
raise
ConfiguratorError
(
"no Q vectors could be generated"
,
self
)
self
[
"parameters"
]
=
parameters
self
[
"type"
]
=
generator
.
_type
self
[
"is_lattice"
]
=
generator
.
is_lattice
self
[
"q_vectors"
]
=
generator
.
configuration
[
'q_vectors'
]
if
isinstance
(
value
,
tuple
):
try
:
generator
,
parameters
=
value
except
ValueError
:
raise
ConfiguratorError
(
"Invalid q vectors settings %s"
%
value
,
self
)
generator
=
REGISTRY
[
"q_vectors"
][
generator
](
trajConfig
[
"universe"
])
generator
.
setup
(
parameters
)
generator
.
generate
()
if
not
generator
.
configuration
[
'q_vectors'
]:
raise
ConfiguratorError
(
"no Q vectors could be generated"
,
self
)
self
[
"parameters"
]
=
parameters
self
[
"type"
]
=
generator
.
_type
self
[
"is_lattice"
]
=
generator
.
is_lattice
self
[
"q_vectors"
]
=
generator
.
configuration
[
'q_vectors'
]
else
:
raise
ConfiguratorError
(
"Q vectors setting must be a tuple %s"
%
value
,
self
)
self
[
"shells"
]
=
self
[
"q_vectors"
].
keys
()
self
[
"n_shells"
]
=
len
(
self
[
"q_vectors"
])
...
...
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