Metadata-Version: 2.1
Name: pytojcamp
Version: 0.0.3
Summary: UNKNOWN
Home-page: UNKNOWN
Author: Kevin M. Jablonka
Author-email: kevin.jablonka@epfl.ch
License: MIT
Description: # PyToJCAMP
        
        ![Python package](https://github.com/cheminfo-py/pytojcamp/workflows/Python%20package/badge.svg)
        ![pre-commit](https://github.com/cheminfo-py/pytojcamp/workflows/pre-commit/badge.svg)
        [![codecov](https://codecov.io/gh/cheminfo-py/pytojcamp/branch/master/graph/badge.svg)](https://codecov.io/gh/cheminfo-py/pytojcamp)
        ![PyPI - Python Version](https://img.shields.io/pypi/pyversions/pytojcamp)
        [![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT)
        ![GitHub last commit](https://img.shields.io/github/last-commit/cheminfo-py/pytojcamp)
        [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/cheminfo-py/pytojcamp/master?filepath=examples%2Fexample.ipynb)
        
        Python to JCAMP converter. Inspired by [PyToJCAMP](https://github.com/cheminfo/convert-to-jcamp).
        
        Some tools work well with the [JCAMP](http://jcamp-dx.org/) format.
        This package allows converting Python data structures to JCAMP, this can make it easier for Python based web services to interact with the [ELN](eln.epfl.ch).
        
        ## Installation
        
        To get the latest development version from the head use
        
        ```
        pip install git+https://github.com/cheminfo-py/pytojcamp.git
        ```
        
        to install the latest stable release use
        
        ```
        pip install pytojcamp
        ```
        
        ## Usage
        
        See the example notebooks, which you can [try out on Binder](https://mybinder.org/v2/gh/kjappelbaum/pytojcamp/master?filepath=examples%2Fexample.ipynb).
        
        ### x/y data
        
        For simple x/y data you can use
        
        ```python
        from pytojcamp import from_xy
        jcamp_string = from_xy((x,y))
        ```
        
        ## multicolumn data
        
        For multicolumn data you can use
        
        ```python
        from pytojcamp import from_dict
        
        data_dictionaries = {
            'x' : {
                'data': [1,2,3],
                'type': 'INDEPENDENT',
                'unit': 'cm'
            },
            'y' : {
                'data': [3,2,3],
                'type': 'DEPENDENT',
                'unit': 'h'
            },
            'z' : {
                'data': [3,2,3],
                'type': 'DEPENDENT',
                'unit': 'kg'
            }
        }
        
        jcamp_string = from_dict(data_dictionaries)
        ```
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.7
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.6
Description-Content-Type: text/markdown
Provides-Extra: testing
Provides-Extra: docs
Provides-Extra: pre-commit
