d3tales-api 0.2.0__tar.gz

d3tales_api-0.2.0/LICENSE

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+MIT License
+
+Copyright (c) 2022 Risko Research Group
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

d3tales_api-0.2.0/MANIFEST.in

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+include requirements.txt
+include README.md
+include LICENSE

d3tales_api-0.2.0/PKG-INFO

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+Metadata-Version: 2.4
+Name: d3tales_api
+Version: 0.2.0
+Summary: API for parsing, database connection, and property calculations for D3taLES project 
+Home-page: https://github.com/D3TaLES/d3tales_api
+Author: Rebekah Duke
+Author-email: d3tales@gmail.com
+License: MIT
+Project-URL: Bug Tracker, https://github.com/D3TaLES/d3tales_api/issues
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: articledownloader>=9.1.1
+Requires-Dist: atomate>=1.0.3
+Requires-Dist: autologging>=1.3.2
+Requires-Dist: cclib>=1.7.2
+Requires-Dist: dbstep>=1.0.0
+Requires-Dist: Django>=2.2.28
+Requires-Dist: dotty_dict>=1.3.1
+Requires-Dist: elsapy>=0.5.1
+Requires-Dist: FireWorks>=2.0.3
+Requires-Dist: inflection>=0.5.1
+Requires-Dist: interruptingcow>=0.8
+Requires-Dist: jsonschema>=3.2.0
+Requires-Dist: matplotlib>=3.1.3
+Requires-Dist: monty>=2022.9.9
+Requires-Dist: nanoid>=2.0.0
+Requires-Dist: numpy>=1.23.5
+Requires-Dist: pandas>=1.5.1
+Requires-Dist: paramiko>=3.0.0
+Requires-Dist: Pillow>=9.3.0
+Requires-Dist: Pint>=0.20.1
+Requires-Dist: PubChemPy>=1.0.4
+Requires-Dist: pymongo>=3.12.3
+Requires-Dist: python-dateutil>=2.8.2
+Requires-Dist: python_jsonschema_objects>=0.4.1
+Requires-Dist: rdkit>=2022.9.1
+Requires-Dist: requests>=2.28.1
+Requires-Dist: scipy>=1.8.0
+Requires-Dist: seaborn>=0.12.1
+Requires-Dist: selfies>=2.1.1
+Requires-Dist: setuptools>=60.2.0
+Requires-Dist: tqdm>=4.64.1
+Dynamic: author
+Dynamic: author-email
+Dynamic: description
+Dynamic: description-content-type
+Dynamic: home-page
+Dynamic: license
+Dynamic: license-file
+Dynamic: project-url
+Dynamic: requires-dist
+Dynamic: summary
+
+# D<sup>3</sup>TaLES API 
+![](mkdocs/D3TaLES_api_logo.png)
+
+
+API designed for the [D<sup>3</sup>TaLES project](https://d3tales.as.uky.edu/). Includes 
+data processing, database access functions, and property calculators. 
+
+## [Website with full documentation for the D<sup>3</sup>TaLES API can be found here](https://d3tales.github.io/d3tales_api/).  
+
+## Modules 
+This API contains three modules: 
+* `D3database`: Interface for interacting with the D<sup>3</sup>TaLES databases. Includes 
+queries, data insertion with validation, and a REST API interface.
+* `Processors`: Processing code for extracting data from computational and experimental
+data files as well as [ExpFlow](https://d3tales.as.uky.edu/expflow) run objects. 
+* `Calculators`: Property calculators and plotters for cyclic voltammetry
+* `Workflows`: Fireworks workflow for the D<sup>3</sup>TaLES databases high throughput workflows 
+
+## Installation 
+
+### PIP Install
+This module can be installed with pip install by running the following code: 
+
+```bash
+pip install git+https://github.com/d3tales/d3tales_api.git
+```
+
+>**Installation Notes**: 
+> * If your python version is greater than 3.8, then you will need to install 
+>[pymatgen](https://pymatgen.org/) directly into the environment you are working in. It is best to use 
+>[conda](https://anaconda.org/conda-forge/pymatgen) for this.
+> * If you plan to use any NLP parsers, you will need to install [ChemDataExtractor2](https://github.com/CambridgeMolecularEngineering/chemdataextractor2) 
+> with `pip install ChemDataExtractor2`. Dependency conflicts make it necessary to install separately.  
+
+### Environment Variables
+Note that many operation require a `DB_INFO_FILE` environment variable. This environment variable
+should be a path to a JSON file containing connection information for the databases. The keys should 
+be the database names such as `frontend`, `backend`, `expflow`, and `fireworks`. An example 
+can be found at [db_info_ex.json](db_info_ex.json). 
+
+To set this variable run:
+```bash
+export DB_INFO_FILE=$PWD/db_infos_ex.json
+```
+
+You can also set a `GROUP_FILE` environment variable. This should point to a json 
+file containing source_group tag names. This is **optional**. 
+
+To set this variable run:
+```bash
+export GROUP_FILE=$PWD/group_file_ex.json
+```
+
+REST API (`d3tales_api.restapi.RESTAPI`) will use `UPLOAD_USER` and `UPLOAD_PASS` environment 
+variables if `username` and `password` arguments are not provided. These environment variables 
+can be set in the same was as the `DB_INFO_FILE` variable. 
+

d3tales_api-0.2.0/README.md

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+# D<sup>3</sup>TaLES API 
+![](mkdocs/D3TaLES_api_logo.png)
+
+
+API designed for the [D<sup>3</sup>TaLES project](https://d3tales.as.uky.edu/). Includes 
+data processing, database access functions, and property calculators. 
+
+## [Website with full documentation for the D<sup>3</sup>TaLES API can be found here](https://d3tales.github.io/d3tales_api/).  
+
+## Modules 
+This API contains three modules: 
+* `D3database`: Interface for interacting with the D<sup>3</sup>TaLES databases. Includes 
+queries, data insertion with validation, and a REST API interface.
+* `Processors`: Processing code for extracting data from computational and experimental
+data files as well as [ExpFlow](https://d3tales.as.uky.edu/expflow) run objects. 
+* `Calculators`: Property calculators and plotters for cyclic voltammetry
+* `Workflows`: Fireworks workflow for the D<sup>3</sup>TaLES databases high throughput workflows 
+
+## Installation 
+
+### PIP Install
+This module can be installed with pip install by running the following code: 
+
+```bash
+pip install git+https://github.com/d3tales/d3tales_api.git
+```
+
+>**Installation Notes**: 
+> * If your python version is greater than 3.8, then you will need to install 
+>[pymatgen](https://pymatgen.org/) directly into the environment you are working in. It is best to use 
+>[conda](https://anaconda.org/conda-forge/pymatgen) for this.
+> * If you plan to use any NLP parsers, you will need to install [ChemDataExtractor2](https://github.com/CambridgeMolecularEngineering/chemdataextractor2) 
+> with `pip install ChemDataExtractor2`. Dependency conflicts make it necessary to install separately.  
+
+### Environment Variables
+Note that many operation require a `DB_INFO_FILE` environment variable. This environment variable
+should be a path to a JSON file containing connection information for the databases. The keys should 
+be the database names such as `frontend`, `backend`, `expflow`, and `fireworks`. An example 
+can be found at [db_info_ex.json](db_info_ex.json). 
+
+To set this variable run:
+```bash
+export DB_INFO_FILE=$PWD/db_infos_ex.json
+```
+
+You can also set a `GROUP_FILE` environment variable. This should point to a json 
+file containing source_group tag names. This is **optional**. 
+
+To set this variable run:
+```bash
+export GROUP_FILE=$PWD/group_file_ex.json
+```
+
+REST API (`d3tales_api.restapi.RESTAPI`) will use `UPLOAD_USER` and `UPLOAD_PASS` environment 
+variables if `username` and `password` arguments are not provided. These environment variables 
+can be set in the same was as the `DB_INFO_FILE` variable. 
+