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Solar System initial isotopic abundance reader.

Project description

iniabu

This package can be used to query the solar system elemental and isotopic composition. It is based on various databases. Currently available databases are

Installation

The package can be installed via pip

pip install iniabu

If you want to upgrade to the newest version, type:

pip install iniabu --upgrade

Alternatively, less preferred (should only be used if, for some reason, you cannot access pip), the software can be installed by running:

python setup.py

Using the package

Loading an instance

Once you have installed the class you can import it, as usual, in python by calling

import iniabu

You can now load your instance, e.g., as

ini = iniabu.IniAbu()

Optionally, you can add an fname argument in this call and select the database you would like to work with. By default fname='lodders09' is loaded. Optionally, you can load separate instances with different databases.

A simple example

In order to calculate a delta value, you need to define two isotopes that you calculate your delta value for your measurement, e.g., you measured the isotopes 29Si and 28Si. The standard format to give the program an isotope is by passing a string, e.g., 'Si-28' for 28Si. The required delta value can then be found by calling:

measurement_value = 0.05
ini.delta_iso(measurement_value, 'Si-29', 'Si-28')

Here, measurement_value is the measured value for which a delta value comparing it to the Solar System average composition will be calculated. The program then returns the delta value in per mille:

-14.957264957264904

More details can be found in the introduction of the docustring to the class. If you're using ipython you can call it up via

ini?

Nomenclature & Options

Isotopes should be passed to the program in the form 'Fe56', where 'Fe' is the symbol for the given element and '56' is the total number of nucleons.

massf: Some routines have a massf argument. By default this is set to False. In this scenario, it is assumed that your isotope ratios are number ratios. If massf = True, the program assumes for this calculation that your value (and the return, where applicable) are in mass fractions.

mult: Functions calculating delta values usually have a mult option. Delta values by themselves are not defined in terms of per mille or any other fraction. The multiplier, which is by default set to 1000 to return per mille, can be set to return anything else as well, e.g., mult=100 would return delta values in percent.

Available subroutines

The subroutines and data listed here are given by name. To the function, type:

ini.name(...)

and give the required arguments (if any). Docstrings are available for all functions and can, from ipython, be called by:

ini.name?

Most users will want to use the functions for ratios.

Queries:

  • query_ele returns the information that is stored on a given element.
  • query_iso returns the information that is stored on a given isotope.

Functions for ratios:

  • delta_iso returns the delta value of two given isotopes
  • delta_ele returns the delta value of two given elements
  • bracket_iso returns the bracket notation of a given pair of isotope
  • bracket_ele returns the bracket notation of a given pair of elements

General information

  • data holds all the read in information.
  • aa, ele, zz holds the information for every entry in the database for the total number of nucleons (aa), the total number of protons (zz), and the element abbrevition (ele).
  • atomp holds the information on atom percentage, i.e., how many percent a given isotope makes up of an element.
  • nn holds the information on abundnace fraction of a given isotope with respect to the average solar system.

More information

More detailed information can be formed in the docstring of the python class file. If you are using ipython, you can query individual commands, e.g., as:

ini.delta_iso?

Contact

Feel free to contact me if you find a bug and would like to have it fixed. You can find my e-mail address below.

Please also let me know if you would like to have additional functionality added. I don't expect you to contribute directly to this code, but please feel free to do so and create a new pull request. Testing is all done manually at this point and I expect it it remain like that for the foreseeable future. Good luck :)

Release

LLNL-CODE-799977

Copyright (c) 2019, Lawrence Livermore National Security, LLC. Produced at the Lawrence Livermore National Laboratory.
Written by Reto Trappitsch
trappitsch1@llnl.gov

All rights reserved.

Please also read this link – Our Disclaimer and GNU General Public License.

This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License (as published by the Free Software Foundation) version 2, dated June 1991.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and conditions of the GNU General Public License for more details.

You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA

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