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nomad-lab
parser-lib-atoms
Commits
f23a735d
Commit
f23a735d
authored
Sep 11, 2020
by
temok-mx
Browse files
Further update of README.md; mv metadata.yml -> metadata.yaml
parent
37f84511
Changes
3
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README.md
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f23a735d
...
@@ -13,7 +13,7 @@ in the same directory as files that also belong to that entry. Parsers
...
@@ -13,7 +13,7 @@ in the same directory as files that also belong to that entry. Parsers
might also read information from these auxillary files. This way you can add more files
might also read information from these auxillary files. This way you can add more files
to an entry, even if the respective parser/code might not directly support it.
to an entry, even if the respective parser/code might not directly support it.
For lib
-a
toms please provide at least the files from this table if applicable to your
For lib
A
toms please provide at least the files from this table if applicable to your
calculations (remember that you can provide more files if you want):
calculations (remember that you can provide more files if you want):
...
@@ -49,12 +49,12 @@ import sys
...
@@ -49,12 +49,12 @@ import sys
from
nomad.cli.parse
import
parse
,
normalize_all
from
nomad.cli.parse
import
parse
,
normalize_all
# match and run the parser
# match and run the parser
backend
=
parse
(
sys
.
argv
[
1
])
archive
=
parse
(
sys
.
argv
[
1
])
# run all normalizers
# run all normalizers
normalize_all
(
backend
)
normalize_all
(
archive
)
# get the 'main section' section_run as a metainfo object
# get the 'main section' section_run as a metainfo object
section_run
=
backend
.
resource
.
contents
[
0
]
.
section_run
[
0
]
section_run
=
archive
.
section_run
[
0
]
# get the same data as JSON serializable Python dict
# get the same data as JSON serializable Python dict
python_dict
=
section_run
.
m_to_dict
()
python_dict
=
section_run
.
m_to_dict
()
...
@@ -76,3 +76,5 @@ pip install -e parser-lib-atoms
...
@@ -76,3 +76,5 @@ pip install -e parser-lib-atoms
```
```
Running the parser now, will use the parser's Python code from the clone project.
Running the parser now, will use the parser's Python code from the clone project.
metadata.yaml
0 → 100644
View file @
f23a735d
codeLabel
:
libAtoms
codeLabelStyle
:
'
Capitals:
A'
codeUrl
:
http://libatoms.github.io/
parserDirName
:
dependencies/parsers/lib-atoms/
parserGitUrl
:
https://gitlab.mpcdf.mpg.de/nomad-lab/parser-lib-atoms
parserSpecific
:
'
'
tableOfFiles
:
'
'
metadata.yml
deleted
100644 → 0
View file @
37f84511
code-label
:
libAtoms
code-label-style
:
'
Capitals:
A'
code-url
:
http://libatoms.github.io/
parser-dir-name
:
dependencies/parsers/lib-atoms/
parser-git-url
:
https://gitlab.mpcdf.mpg.de/nomad-lab/parser-lib-atoms
parser-specific
:
'
'
table-of-files
:
'
'
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