Metadata-Version: 2.1
Name: cmselemental
Version: v0.1.0
Summary: UNKNOWN
Home-page: UNKNOWN
Author: MolSSI
Author-email: support@molssi.org
License: BSD-3-Clause
Description: CMSElemental
        ====================
        [//]: # (Badges)
        [![CI](https://github.com/MolSSI/cmselemental/actions/workflows/CI.yaml/badge.svg)](https://github.com/MolSSI/cmselemental/actions/workflows/CI.yaml)
        [![codecov](https://codecov.io/gh/MolSSI/cmslemental/branch/main/graph/badge.svg)](https://codecov.io/gh/MolSSI/cmslemental/branch/main)
        [![Language grade: Python](https://img.shields.io/lgtm/grade/python/g/MolSSI/cmselemental.svg?logo=lgtm&logoWidth=18)](https://lgtm.com/projects/g/MolSSI/cmselemental/context:python)
        
        A python package which provides data models & tools for the Computational Molecular Sciences (CMS).
        
        # Base Models
        The most fundamental model is `ProtoModel`, a subclass of the [pydantic](https://pydantic-docs.helpmanual.io) `BaseModel`, which provides commonly used methods in CMS.
        ```python
        from cmselemental.models import ProtoModel
        
        class Model(ProtoModel):
            ...
        
        obj = Model(...)
        is_same = obj.compare(other_obj)
        stringified = obj.json()
        data = obj.dict()
        ```
        
        # Serialization/deserialization
        Routines for serializing to popular formats like JSON and YAML are available, with support for encoding Numpy arrays. 
        ```python
        from cmselemental.util import serialize, deserialize
        
        stringified = serialize(data, encodding="json", indent=4)
        data = deserialize(stringified, encoding="json")
        ```
        
Platform: UNKNOWN
Classifier: Development Status :: 2 - Pre-Alpha
Description-Content-Type: text/markdown
