Skip to main content

No project description provided

Project description

PyToJCAMP

Documentation Status Python package pre-commit codecov PyPI - Python Version License: MIT GitHub last commit Binder

Python to JCAMP converter. Inspired by PyToJCAMP.

Some tools work well with the JCAMP 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.

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.

x/y data

For simple x/y data you can use

from pytojcamp import from_xy
jcamp_string = from_xy((x,y))

multicolumn data

For multicolumn data you can use

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)

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

pytojcamp-0.0.4.tar.gz (21.8 kB view hashes)

Uploaded Source

Built Distribution

pytojcamp-0.0.4-py3-none-any.whl (9.1 kB view hashes)

Uploaded Python 3

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page