Welcome to MassBalanceCal’s documentation!

Contents:

INSTALLATION & USE

  1. No pip or conda installation is planned, you can install by calling the setup.py file in the unzipped downloaded file (directory name supposedly as MassBalanceCal-main). Run the line below in any terminal like app (terminal in Mac, or Anaconda prompt in Win):

pip install .

or quicker install from the github repo url as:

pip install "git+https://github.com/eazzzon/MassBalanceCal.git"

  1. If you don’t want to install the module, you can still either run the scripts/notebook file within the example directory, or relative import the module as:

sys.path.append(filepath of massbalance folder in your system)

  1. Uninstallatiion as:

pip uninstall massbalance

DATA PREPARATION

  1. Load your phase compositions in the input excel files, use sheets store different phases, free to change sheet names and orders BUT NOT bulk and run_index sheets (they should always stay as the last two), bulk sheet should give the bulk composition(s), run_index should give the entire experimental run numbers ± expts conditions, sample numbers or rock ids for natural samples, which are then used for indexing and matching during calculation.

  2. If you only have one bulk composition, you can use input_comp_oneBulk.xlsx, or input_comp.xlsx but overwrite the bulk sheet.

  3. If you change the element in the header, you should also change the definition of element list in the script for consistency.

  4. If you didn’t install the module, DO NOT change the structure of the directory.

Indices and tables