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nomad-lab
parser-cpmd
Commits
bc6c6072
Commit
bc6c6072
authored
8 years ago
by
Lauri Himanen
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Corrected typo.
parent
e82b9773
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parser/parser-cpmd/cpmdparser/parser.py
+3
-3
3 additions, 3 deletions
parser/parser-cpmd/cpmdparser/parser.py
with
3 additions
and
3 deletions
parser/parser-cpmd/cpmdparser/parser.py
+
3
−
3
View file @
bc6c6072
...
@@ -18,7 +18,7 @@ class CPMDRunType(object):
...
@@ -18,7 +18,7 @@ class CPMDRunType(object):
#===============================================================================
#===============================================================================
class
CPMDParser
(
ParserInterface
):
class
CPMDParser
(
ParserInterface
):
"""
This class handles the initial setup before any parsing can happen. It
"""
This class handles the initial setup before any parsing can happen. It
determines which version of CP
2K
was used to generate the output and then
determines which version of CP
MD
was used to generate the output and then
sets up a correct main parser.
sets up a correct main parser.
After the implementation has been setup, you can parse the files with
After the implementation has been setup, you can parse the files with
...
@@ -31,7 +31,7 @@ class CPMDParser(ParserInterface):
...
@@ -31,7 +31,7 @@ class CPMDParser(ParserInterface):
"""
Setups the version by looking at the output file and the version
"""
Setups the version by looking at the output file and the version
specified in it.
specified in it.
"""
"""
# Search for the CP
2K
version specification and the
RUN_TYPE
for the
# Search for the CP
MD
version specification and the
run type
for the
# calculation. The correct and optimized parser is initialized based on
# calculation. The correct and optimized parser is initialized based on
# this information.
# this information.
regex_version
=
re
.
compile
(
"
\s+VERSION ([\d\.]+)
"
)
regex_version
=
re
.
compile
(
"
\s+VERSION ([\d\.]+)
"
)
...
@@ -85,7 +85,7 @@ class CPMDParser(ParserInterface):
...
@@ -85,7 +85,7 @@ class CPMDParser(ParserInterface):
self
.
parser_context
.
file_service
.
set_file_id
(
filename
,
"
output
"
)
self
.
parser_context
.
file_service
.
set_file_id
(
filename
,
"
output
"
)
# Setup the correct main parser based on the version id. If no match
# Setup the correct main parser based on the version id. If no match
# for the version is found, use the main parser for CP
2K 2.6.2
# for the version is found, use the main parser for CP
MD 4.1
self
.
setup_main_parser
(
version_id
,
run_type
)
self
.
setup_main_parser
(
version_id
,
run_type
)
def
get_metainfo_filename
(
self
):
def
get_metainfo_filename
(
self
):
...
...
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