-
Notifications
You must be signed in to change notification settings - Fork 311
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Reorganize and refactor atomic subpackage #122
Commits on Sep 25, 2017
-
Configuration menu - View commit details
-
Copy full SHA for 638fdd9 - Browse repository at this point
Copy the full SHA 638fdd9View commit details -
Configuration menu - View commit details
-
Copy full SHA for fd38f05 - Browse repository at this point
Copy the full SHA fd38f05View commit details -
Configuration menu - View commit details
-
Copy full SHA for 0d96339 - Browse repository at this point
Copy the full SHA 0d96339View commit details -
Configuration menu - View commit details
-
Copy full SHA for 6338e32 - Browse repository at this point
Copy the full SHA 6338e32View commit details -
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.
Configuration menu - View commit details
-
Copy full SHA for 2b3b03f - Browse repository at this point
Copy the full SHA 2b3b03fView commit details -
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.
Configuration menu - View commit details
-
Copy full SHA for 55bdce5 - Browse repository at this point
Copy the full SHA 55bdce5View commit details -
Configuration menu - View commit details
-
Copy full SHA for 49da70c - Browse repository at this point
Copy the full SHA 49da70cView commit details -
Configuration menu - View commit details
-
Copy full SHA for 843bde9 - Browse repository at this point
Copy the full SHA 843bde9View commit details
Commits on Sep 26, 2017
-
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.
Configuration menu - View commit details
-
Copy full SHA for a48dd70 - Browse repository at this point
Copy the full SHA a48dd70View commit details -
Configuration menu - View commit details
-
Copy full SHA for 62ce9ef - Browse repository at this point
Copy the full SHA 62ce9efView commit details -
Configuration menu - View commit details
-
Copy full SHA for ca88ad4 - Browse repository at this point
Copy the full SHA ca88ad4View commit details -
Test and fix __extract_charge_state
This fixes a bug where __extract_charge_state('H-1-') did not return ('H-1', -1).
Configuration menu - View commit details
-
Copy full SHA for 519c432 - Browse repository at this point
Copy the full SHA 519c432View commit details -
Configuration menu - View commit details
-
Copy full SHA for a6928e1 - Browse repository at this point
Copy the full SHA a6928e1View commit details -
Configuration menu - View commit details
-
Copy full SHA for 2efa711 - Browse repository at this point
Copy the full SHA 2efa711View commit details -
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.
Configuration menu - View commit details
-
Copy full SHA for aadba67 - Browse repository at this point
Copy the full SHA aadba67View commit details -
Configuration menu - View commit details
-
Copy full SHA for ef1242a - Browse repository at this point
Copy the full SHA ef1242aView commit details -
Configuration menu - View commit details
-
Copy full SHA for 8118d9a - Browse repository at this point
Copy the full SHA 8118d9aView commit details -
Configuration menu - View commit details
-
Copy full SHA for 4bc1f93 - Browse repository at this point
Copy the full SHA 4bc1f93View commit details -
Improve test coverage for atomic routines
Because: "coverage/coveralls — Coverage decreased (-0.01%) to 98.955%"
Configuration menu - View commit details
-
Copy full SHA for 27cee26 - Browse repository at this point
Copy the full SHA 27cee26View commit details
Commits on Sep 29, 2017
-
Configuration menu - View commit details
-
Copy full SHA for 469fb35 - Browse repository at this point
Copy the full SHA 469fb35View commit details -
Configuration menu - View commit details
-
Copy full SHA for 78ca910 - Browse repository at this point
Copy the full SHA 78ca910View commit details