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calcmass's Introduction

Calcmass

A python script to find the molecular mass in g/mol of a chemical equation
This is forked from Calcmass and there're few changes here.

Changes

As the requests have not been merged yet, I list some of the changes here.

  1. Bug fixed for multiple inputs(Link)
  2. Support for float(Link)
  3. Add an API for import convenience

Example

Console

$ calcmass C3H6N6O6  
222.11634  

$ calcmass H2 O2 H2O  
H2: 2.01588  
O2: 31.99880  
H2O: 18.01528  

$ calcmass Li1.2Ni0.13Mn0.54Co0.13O2
85.28600

Python

>>> from calcmass.mass import massof
>>> massof('H2O')
18.01528

Setup

To use the original version, you can check The original repo

If you want to use this version, you still can download using pip.

$ pip install git+https://github.com/wsyxbcl/Calcmass.git

for ArchLinux user, you can find python-calcmass from AUR.

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