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Reorganize and refactor atomic subpackage #122

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merged 21 commits into from
Sep 29, 2017

Commits on Sep 25, 2017

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  5. Improve variable names consistency in atomic.py

    This commit enforces the following naming conventions:
    
        element = element_symbol(argument)
        isotope = isotope_symbol(argument)
    
    Using `symbol` leaves it ambiguous whether it refers to an element,
    isotope, or ion.
    namurphy committed Sep 25, 2017
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  6. Change atomic_symbols_list to a dict

    The new atomic_symbols dictionary in elements.py has atomic numbers as
    keys and the atomic symbols as items.  This results in the same
    functionality, but will not break if we remove neutrons from index 0.
    namurphy committed Sep 25, 2017
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Commits on Sep 26, 2017

  1. Add helper functions to identify atomic special cases

    New functions include: __is_hydrogen, __is_positron, __is_electron,
    __is_antiproton, __is_neutron, and __is_alpha.  These functions check
    whether or not a particle string corresponds to any of the cases with
    special names.  These functions are designed to make functions like
    atomic_symbol more readable.  This is still a work in progress.
    namurphy committed Sep 26, 2017
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  2. Extend .gitignore

    namurphy committed Sep 26, 2017
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  4. Test and fix __extract_charge_state

    This fixes a bug where __extract_charge_state('H-1-') did not return
    ('H-1', -1).
    namurphy committed Sep 26, 2017
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  7. Test for case-sensitive atomic symbols

    Up until now, atomic symbols were case-insensitive (e.g., 'd' and 'D'
    both stand for deuterium; but 'p' means proton and 'P' means
    phosphorus).  The problem with case-insensitivity is that it allows
    for sloppier and less consistent code.
    namurphy committed Sep 26, 2017
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  11. Improve test coverage for atomic routines

    Because: "coverage/coveralls — Coverage decreased (-0.01%) to 98.955%"
    namurphy committed Sep 26, 2017
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Commits on Sep 29, 2017

  1. Update .gitignore

    namurphy committed Sep 29, 2017
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