MCODE Isotope

mcode_isotope is a CLI for retrieving nuclide mass data from an MCODE input deck and saving it to a CSV file. It may also be used as a python module and provides relevant classes.

Installation

mcode_isotope requires Python 3 and is not backwards compatible with Python 2. It is best installed using pip. Note that if you have both Python 3 and Python 2 you should replace the following commands with pip3 instead. On Windows, these commands must be run as Adminstrator otherwise usage will be slightly different.

Installing with pip

If you have ssh setup with GitHub, the easiest way to install mcode_isotope is with the following command:

pip install git+https://github.com/kclapper/MCODE-Isotope.git

If you don't have ssh setup, first clone/download the repository. Then from the project root directory run:

pip install .

If you plan on editing the mcode_isotope source files you should instead install using:

pip install -e .

Usage

Once installed, the CLI can be used as follows:

mcode_isotope <MCODE File> <Nuclide> [Output File] [Flags]

<MCODE File>:   Should be path to a valid MCODE input deck.

<Nuclide>:      The nuclide for which masses will be found. Should be in the 
                format ZZAAA where ZZ is a zero padded atomic number and AAA
                is a zero padded mass number.

[Output File]:  Optionally specify the output file to write. Defaults to "mass.csv"

Flags/Options:
    -h --help   Displays this help message

Example:

mcode_isotope EOC_Cycle237_Final.txt 92235 U235Mass.csv

Notes

MCODE Compatibility

ICE cards can be beginning, end, both, or not included. NO STRIPING IMPLEMENTED. Only works with 1/2/5/4/2/1 plate groupings (96 mat cards per element). Elements can be flipped or not.

Using without pip

Installing mcode_isotope with pip is prefered for every day use. However, mcode_isotope can alternatively be run directly from the module. To run directly from the module, download the source files and from the project root directory run:

python -m mcode_isotope <MCODE File> <Nuclide> [Output File] [Flags]

Windows Installation

If mcode_isotope is not installed with administrative priviledges, the CLI can still be run from any directory, however you won't be able to call the command by mcode_isotope. You'll have to call python -m mcode_isotope instead.

If you install with adminstrative priviledges as directed in the installation instructions, you can call mcode_isotope normally as depicted in the usage instructions.

Uninstall

To uninstall run:

pip uninstall mcode_isotope