Skip to content
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

Merge develop #2

Merged
merged 19 commits into from
Jan 12, 2021
Merged

Merge develop #2

merged 19 commits into from
Jan 12, 2021

Conversation

cbouy
Copy link
Owner

@cbouy cbouy commented Jan 12, 2021

merge recent develop changes to prolif branch

lilyminium and others added 19 commits December 10, 2020 12:02
Fixes MDAnalysis#2925 
Fixes MDAnalysis#2875
Fixes MDAnalysis#3054 

Changes made in this Pull Request:
 - added a class factory to subclass `core.selection.Selection` for each TopologyAttr
 - added tokens to `core.selection.SameSelection`
 - added `FloatRangeSelection` and `BoolSelection`
 - added negatives, scientific notation and "to" delimiter for ranges
 - Adds RTD configuration
 - Add `environment.yml` for package installation
Install via `pip install package/` to build current docs on ReadTheDocs
Fixes the RMSF docstring's align command and adds transformation to make the results accurate
* the `SYMBOLS` regex in `guessers.py` does not require
any escape sequences because the metacharacters are inactive
in the character class (this includes the range metacharacter
when placed at the start or end of the character class)
* avoid the overhead of a regex character class
when that character class has only a single character
(i.e., serves no purpose)

* there is only one instance of this in MDA codebase
discovered by my [scraping
code](https://github.com/tylerjereddy/regex-improve)

* for a longer explanation see my similar changes in
NumPy codebase:
numpy/numpy#18083
…s_overhead

MAINT: char class regex improve
)

Returns empty residue group for _get_prev_residues_by_resid and _get_next_residues_by_resid
Fix syntax warning over comparison of literals using is.
@cbouy cbouy merged commit 09a05be into prolif Jan 12, 2021
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

7 participants