AiiDA data plugin for pandas DataFrame objects
Project description
aiida-dataframe
AiiDA data plugin for pandas DataFrame objects
Features
-
Store
pandas.DataFrame
objects in the Database:import pandas as pd PandasFrameData = DataFactory('dataframe.frame') df = pd.DataFrame( { "A": 1.0, "B": pd.Timestamp("20130102"), "C": pd.Series(1, index=list(range(4)), dtype="float32"), "D": np.array([3] * 4, dtype="int32"), "E": pd.Categorical(["test", "train", "test", "train"]), "F": "foo", } ) df_node = PandasFrameData(df) df_node.store()
-
Retrieving the
pandas.DataFrame
from the Database :from aiida.orm import QueryBuilder df_node = QueryBuilder().append(PandasFrameData).first()[0] df = df_node.df #The df property reconstructs the pandas DataFrame print(df.head())
Installation
pip install aiida-dataframe
verdi quicksetup # better to set up a new profile
verdi plugin list aiida.data # should now show your data plugins
Usage
The plugin also includes verdi commands to inspect its data types:
verdi data dataframe list
verdi data dataframe export <PK>
verdi data dataframe show <PK>
Development
git clone https://github.com/janssenhenning/aiida-dataframe .
cd aiida-dataframe
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 for more information.
License
MIT
Contact
Project details
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
aiida-dataframe-0.1.3.tar.gz
(91.8 kB
view details)
Built Distribution
File details
Details for the file aiida-dataframe-0.1.3.tar.gz
.
File metadata
- Download URL: aiida-dataframe-0.1.3.tar.gz
- Upload date:
- Size: 91.8 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: python-requests/2.30.0
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | a0f08db2e9fdd4283ec9c5a89e10d3e86ed0fa1464844ed43dfaaa6cff56db65 |
|
MD5 | 817c2a2e6ccf916df23e115461f7a477 |
|
BLAKE2b-256 | af97a05fa4ee5964b79543ad8865bbc24286c9e1b32ce0498671eda98d7f3b83 |
File details
Details for the file aiida_dataframe-0.1.3-py3-none-any.whl
.
File metadata
- Download URL: aiida_dataframe-0.1.3-py3-none-any.whl
- Upload date:
- Size: 6.8 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: python-requests/2.30.0
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | 5a9c2354af5251e31413d51e7383f3ad23718e2878be13084d9f20017e781b36 |
|
MD5 | 501b56331cbc6b39aab67a7ceaba7da9 |
|
BLAKE2b-256 | a5668ee142f04536d66b8220cd937febf50175aa880bb3880ff3d62e3a24b0ab |