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aiida-grouppathx-0.2.0
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مشاهده بیشترتوضیحات
AiiDA plugin provides the GroupPathX class
| ویژگی | مقدار |
|---|---|
| سیستم عامل | - |
| نام فایل | aiida-grouppathx-0.2.0 |
| نام | aiida-grouppathx |
| نسخه کتابخانه | 0.2.0 |
| نگهدارنده | [] |
| ایمیل نگهدارنده | [] |
| نویسنده | - |
| ایمیل نویسنده | Bonan Zhu <zhubonan@outlook.com> |
| آدرس صفحه اصلی | - |
| آدرس اینترنتی | https://pypi.org/project/aiida-grouppathx/ |
| مجوز | - |
[![Build Status][ci-badge]][ci-link]
[![Coverage Status][cov-badge]][cov-link]
[![PyPI version][pypi-badge]][pypi-link]
# aiida-grouppathx
AiiDA plugin provides the `GroupPathX` class.
This plugin was kickstarted using
[AiiDA plugin cutter](https://github.com/aiidateam/aiida-plugin-cutter),
intended to help developers get started with their AiiDA plugins.
## Features and usage
This package is provides a enhanced version of `GroupPath` - `GroupPathX`.
The main feature is that it allows nodes stored under a group to be *named* by an alias.
This way, one can address a specific `Node` as `GroupPath('mygroup/structure1')`.
In addition, a `show_tree` method is provided for visualising the content of a specific `GroupPathX`,
similiar to the command line tool `tree` that works on the file system.
The goal is to provide a way for managing data with an interface what is similar to a file system based approach.
```
tree aiida_grouppathx
aiida_grouppathx
├── __init__.py
├── pathx.py
└── __pycache__
├── __init__.cpython-38.pyc
└── pathx.cpython-38.pyc
```
In analogy:
```python
from aiida_grouppathx import GroupPathX
path = GroupPathX('group1')
path.get_or_create_group()
path['group2'].get_or_create_group()
path.add_node(Int(1).store(), 'int1')
path['group2'].add_node(Int(1).store(), 'int2')
path.show_tree()
```
gives
```
group1
├── group2
│ └── int2 *
└── int1 *
```
where the `*` highlights that a leaf is a `Node` rather than a group.
This kind of mark up can be customised, for example, to show the status of workflow nodes.
```python
def decorate_name(path):
if path.is_node:
return ' ' + str(path.get_node())
path.show_tree(decorate_name)
```
gives:
```
group1
├── group2
│ └── int2 uuid: de79d244-d3bb-4f61-9d3a-b3f09e1afb72 (pk: 7060) value: 1
└── int1 uuid: e2f70643-0c25-4ae5-929a-a3e055969d10 (pk: 7059) value: 1
```
Multiple decorators can be combined
```
from aiida_grouppathx import decorate_with_group_names, decorate_with_label decorate_with_uuid_first_n
path.show_tree(decorate_with_group_names, decorate_with_label, decorate_with_uuid_first_n())
```
output:
```
group1
├── group2
│ └── int2 group1/group2 | | de79d244-d3b
└── int1 group1 | | e2f70643-0c2
```
The stored nodes can be access through:
```
group1['group2/int2'].get_node() # Gives node de89d2
group1.browse.group2.int2().get_node() # Also gives node de89d2
```
and also
```
path.browse.<tab>
path.browse.int1() # To access the `group1/int1` path
path.browse.int1().get_node() # To access the `group1/int1` node
```
Please see the `pathx.py` for the extended methods, and the official documentation for the concept of `GroupPath`.
The package does not change how `Group` and `Node` operates in the AiiDA.
It is only built on top of the existing system as an alternative way to access the underlying data.
## Installation
```shell
pip install aiida-grouppathx
verdi quicksetup # better to set up a new profile
```
## Development
```shell
git clone https://github.com/zhubonan/aiida-grouppathx .
cd aiida-grouppathx
pip install --upgrade pip
pip install -e .[pre-commit,testing] # install extra dependencies
pre-commit install # install pre-commit hooks
pytest -v # discover and run all tests
```
See the [developer guide](http://aiida-grouppathx.readthedocs.io/en/latest/developer_guide/index.html) for more information.
## License
MIT
## Contact
zhubonan@outlook.com
[ci-badge]: https://github.com/zhubonan/aiida-grouppathx/workflows/ci/badge.svg?branch=master
[ci-link]: https://github.com/zhubonan/aiida-grouppathx/actions
[cov-badge]: https://coveralls.io/repos/github/zhubonan/aiida-grouppathx/badge.svg?branch=master
[cov-link]: https://coveralls.io/github/zhubonan/aiida-grouppathx?branch=master
[docs-badge]: https://readthedocs.org/projects/aiida-grouppathx/badge
[docs-link]: http://aiida-grouppathx.readthedocs.io/
[pypi-badge]: https://badge.fury.io/py/aiida-grouppathx.svg
[pypi-link]: https://badge.fury.io/py/aiida-grouppathx
نیازمندی
| مقدار | نام |
|---|---|
| - | aiida-core>=1.6.4,<3 |
| - | treelib |
| - | sphinx |
| - | sphinxcontrib-contentui |
| - | sphinxcontrib-details-directive |
| - | furo |
| - | markupsafe<2.1 |
| - | pre-commit~=2.2 |
| - | pylint>=2.5.0,<2.9 |
| - | pgtest~=1.3.1 |
| - | wheel~=0.31 |
| - | coverage[toml] |
| - | pytest~=6.0 |
| - | pytest-cov |
زبان مورد نیاز
| مقدار | نام |
|---|---|
| >=3.7 | Python |
نحوه نصب
نصب پکیج whl aiida-grouppathx-0.2.0:
pip install aiida-grouppathx-0.2.0.whl
نصب پکیج tar.gz aiida-grouppathx-0.2.0:
pip install aiida-grouppathx-0.2.0.tar.gz