{ "info": { "author": "Nathan Sandford", "author_email": "nathan_sandford@berkeley.edu", "bugtrack_url": null, "classifiers": [], "description": "# Chem-I-Calc\n\nChem-I-Calc is a python package for evaluating the chemical information content\nof resolved star spectroscopy.\nIt takes advantage of the Fisher information matrix and the Cram\u00e9r-Rao inequality\nto quickly calculate the Cram\u00e9r-Rao lower bounds (CRLBs), which give the best\ntheoretically achievable precision from a set of observations.\n\n## Installation\nChem-I-Calc requires Python 3.5 or later.\nIt and all of its dependencies can be installed from PyPi with\n```\npip install Chem-I-Calc\n```\nor directly from Github with\n```\npip install git+https://github.com/NathanSandford/Chem-I-Calc\n```\n\n## Getting Started\n### Initial file downloads\nThese calculations require high-resolution (R~100,000) spectra in order to calculate\nspectral gradients for a wide variety of instrumental configurations. The files that\ninclude this data are too large to host on either Github or PyPi, instead, the first time\nthe app looks for this data, the data is downloaded from a Google Drive, which may take\n2-10 minutes depending on your internet connectivity. As chunks of the data are downloaded,\nit will display in the terminal/notebook output. The label file is about 50 chunks and the\nspectra file is about 26,600 chunks.\n\n### Interactive GUI\nChem-I-Calc will eventually include a web-hosted applet for quick and easy\nCRLB calculations for the broader astronomical community. The large files required\nfor these calculations, however, have complicated deploying this application. As an\nintermediate stop-gap, the Chem-I-Calc package includes the code necessary to run the\napplet locally.\n\nIf you have installed Chem-I-Calc with pip you can start up the applet by running\nthe command\n```\nrun_chemicalc\n```\nin the python environmnent that Chem-I-Calc was installed in. If you have installed\nChem-I-Calc by cloning the repository, you will need to navigate to \nChem-I-Calc/chemicalc_app or make sure your path includes the file run_chemicalc.\n\nAfter running the command in the terminal you should see the following output:\n\n Serving Flask app \"chemicalc_app\" (lazy loading)
\n Environment: production
\n WARNING: Do not use the development server in a production environment.
\n Use a production WSGI server instead.
\n Debug mode: off
\n Running on http://127.0.0.1:8050/ (Press CTRL+C to quit)
\n\nIn an internet browser, navigate to the address output in the final line\n(e.g., http://127.0.0.1:8050/). The app should then load and be at your disposal!\n\n### Jupyter Notebooks\nChem-I-Calc is designed to be be both very interactive and modular, making it well suited\nfor use in notebook environments. This allows interested users to explore beyond the\ncapabilities of the GUI/applet. For example, one could easily use Chem-I-Calc with their\nown stellar spectral models, include a custom Signal/Noise prescription, and otherwise\nadapt the code to calculate CRLBs for their specific observations and analysis.\n\nTutorials for running Chem-I-Calc in a notebook can be found in Chem-I-Calc/notebooks/ and\nwill be expanded upon as the package grows in features.\n\n## Authors\n- Nathan Sandford (UC Berkeley, nathan_sandford@berkeley.edu)\n\n## Collaborators\n- Dan Weisz\n- Yuan-Sen Ting\n- Hans-Walter Rix\n\n## Attribution\nThis work will be presented in an upcoming paper, Sandford et al. (in prep) \n\n## Contributions & Bug Reports\nLike what this package is doing, but unsatisfied with some portion of it?\nI warmly welcome any and all contributions, particularly in feature additions,\nweb deployment, bug fixes, and code optimizations. Don't hesitate to reach out to me if you have any\nideas or contributions you would like to apply.\n\n\n", "description_content_type": "", "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/NathanSandford/Chem-I-Calc", "keywords": "", "license": "MIT", "maintainer": "", "maintainer_email": "", "name": "Chem-I-Calc", "package_url": "https://pypi.org/project/Chem-I-Calc/", "platform": "", "project_url": "https://pypi.org/project/Chem-I-Calc/", "project_urls": { "Homepage": "https://github.com/NathanSandford/Chem-I-Calc" }, "release_url": "https://pypi.org/project/Chem-I-Calc/0.1.4/", "requires_dist": [ "tqdm", "requests", "dash", "flask", "mendeleev", "matplotlib", "plotly", "scipy", "mechanicalsoup", "pandas", "numpy", "tables" ], "requires_python": "", "summary": "", "version": "0.1.4" }, "last_serial": 5838559, "releases": { "0.1": [ { "comment_text": "", "digests": { "md5": 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