CHEMTOOL

A commandline utility for making chemistry a little less tedious.

So far the program is able to calculate the molar mass for a given molecule, or balance a given chemical reaction.

Examples:

To get the total molar mass of the molecule CH3CH2CH3 simply call chemtool as:

chemtool mass CH3CH2CH3

Which should generate the following output:

abbrv.     amt.          M             name          Z
------------------------------------------------------
C             3     12.01070000       Carbon         6
H             8      1.00794000      Hydrogen        1
Total: 44.09562

To balance a reaction - e.g. C3H8 + O2 -> CO2 + H2O call:

chemtool balance 'C3H8 + O2 -> CO2 + H2O'

and the following should be displayed:

1 C3H8 + 5 O2 -> 3 CO2 + 4 H2O

USAGE

Usage:
    chemtool mass <formula> [options]
    chemtool balance <reaction> [options]
    chemtool [-h | --help]
    chemtool [-v | --version]

Options:
    -h --help           Display this message and then exit.
    -v --version        Display the version number and then exit.
    --db-path PATH      Explicitly specify the path to the database file.

Installing and building

The easiest way to compile the project is with the cargo program available from the rust website at: http://www.rust-lang.org/

Navigate to the project directory and call:

cargo build --release

which will place the binary in the target directory. Then copy the element database elemdb.csv to the same directory as the program binary (or use --db-path when invoking chemtool to specify the path yourself).

Testing

To do a quick test of the program simply call:

cargo test