You can also use the NOMAD parsers within Python, as shown below. This will give you the parse results as metainfo objects to conveniently analyze the results in Python. See metainfo for more details on how to use the metainfo in Python.
You can also use the NOMAD parsers within Python, as shown below.
This will give you the parse results as metainfo objects to conveniently analyze the results in Python.
See metainfo for more details on how to use the metainfo in Python.
```python
# requires: nomad-lab[parsing,infrastructure]
importsys
fromnomad.clientimportparse,normalize_all
# match and run the parser
archive=parse(sys.argv[1])
archives=parse(sys.argv[1])
# run all normalizers
normalize_all(archive)
forarchiveinarchives:
normalize_all(archive)
# get the 'main section' section_run as a metainfo object
section_run=archive.run[0]
# get the 'main section' section_run as a metainfo object
section_run=archive.run[0]
# get the same data as JSON serializable Python dict
python_dict=section_run.m_to_dict()
# get the same data as JSON serializable Python dict
python_dict=section_run.m_to_dict()
```
You can also clone a parser project to debug or fix a parser:
Our parsers are hosted in github. They are in the [nomad-coe](https://github.com/nomad-coe) organization. They are typically named `nomad-parser-<code-name>`. The parser version
that fits the NOMAD v1 metainfo schema is typically in the `metainfo-refactor` branch.
Run the CLI with `python -m nomad.cli` to automatically include the current working directory
in the Python path. This will use the cloned parser code over the installed parser code.
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Our parsers are hosted in GitHub.
They are in the [nomad-coe](https://github.com/nomad-coe) organization.
They are typically named `nomad-parser-<code-name>`.
The parser version that fits the NOMAD v1 metainfo schema is typically in the `metainfo-refactor` branch.
Run the CLI with `python -m nomad.cli` to automatically include the current working directory in the Python path.
This will use the cloned parser code over the installed parser code.