Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
nomad-lab
parser-wien2k
Commits
03899751
Commit
03899751
authored
Feb 05, 2019
by
Daniel Speckhard
Browse files
removed setup_logged method.
parent
f63e5760
Changes
2
Hide whitespace changes
Inline
Side-by-side
parser/parser-wien2k/wien2kparser/parser_wien2k.py
View file @
03899751
...
...
@@ -102,7 +102,6 @@ class Wien2kContext(object):
with
open
(
fName
)
as
fIn
:
subParser
.
parseFile
(
fIn
)
mainFile
=
self
.
parser
.
fIn
.
fIn
.
name
fName
=
mainFile
[:
-
4
]
+
".in2c"
if
os
.
path
.
exists
(
fName
):
...
...
@@ -309,21 +308,6 @@ class Wien2kParser():
return
backend
def
setup_logger
(
self
,
new_logger
):
if
hasattr
(
new_logger
,
'bind'
):
# tell tests about received logger
new_logger
.
debug
(
'received logger'
)
# only do this for struct logs
from
excitingparser
import
parser_exciting
,
exciting_parser_XS_input
,
\
exciting_parser_GS_input
,
exciting_parser_dos
,
exciting_parser_bandstructure
parser_exciting
.
logging
=
new_logger
exciting_parser_XS_input
.
logging
=
new_logger
.
bind
(
legacy_logging
=
'XS_input'
)
exciting_parser_GS_input
.
logging
=
new_logger
.
bind
(
legacy_logging
=
'GS_input'
)
exciting_parser_dos
.
logging
=
new_logger
.
bind
(
legacy_logging
=
'dos'
)
exciting_parser_bandstructure
.
logging
=
new_logger
.
bind
(
legacy_logging
=
'band'
)
if
__name__
==
"__main__"
:
superContext
=
Wien2kContext
()
...
...
parser/parser-wien2k/wien2kparser/wien2k_parser_struct.py
View file @
03899751
...
...
@@ -110,7 +110,7 @@ def buildStructureMatchers():
repeats
=
True
),
# SM(r"\s*(?P<atom>.{10})\s*NPT=\s*(?P<NPT>[0-9]+)\s*R0=(?P<r0>[0-9.]+)\s*RMT=\s*(?P<rmt>[0-9.]+)\s*Z:\s*(?P<z>[0-9.]+)",)
SM
(
r
"\s*(?P<x_wien2k_atom_name>^
.
+)\s*NPT=\s*(?P<x_wien2k_NPT>[0-9]+)\s*R0=(?P<x_wien2k_R0>[0-9.]+)\s*RMT=\s*(?P<x_wien2k_RMT>[0-9.]+)\s*Z:\s*(?P<x_wien2k_atomic_number_Z>[0-9.]+)"
,)
SM
(
r
"\s*(?P<x_wien2k_atom_name>^
[^\s]
+)\s*NPT=\s*(?P<x_wien2k_NPT>[0-9]+)\s*R0=(?P<x_wien2k_R0>[0-9.]+)\s*RMT=\s*(?P<x_wien2k_RMT>[0-9.]+)\s*Z:\s*(?P<x_wien2k_atomic_number_Z>[0-9.]+)"
,)
]
)
])
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment