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.

Sign up for GitHub

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

Jump to bottom

filter molecule for templates #339

Merged
merged 14 commits into from
Jun 21, 2024
Merged

filter molecule for templates #339

merged 14 commits into from
Jun 21, 2024

Commits on Aug 6, 2023

  1. filter molecule for templates

    @fgrunewald
    fgrunewald committed Aug 6, 2023
    Configuration menu
    Copy the full SHA
    b97ba71 View commit details
    Browse the repository at this point in the history

Commits on Jun 14, 2024

  1. Merge branch 'master' into master_copy

    @fgrunewald
    fgrunewald committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    9b170d5 View commit details
    Browse the repository at this point in the history

  2. integration test for handling non-unique residue names

    @fgrunewald
    fgrunewald committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    37f6835 View commit details
    Browse the repository at this point in the history

  3. some refactor

    @fgrunewald
    fgrunewald committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    82c2ccd View commit details
    Browse the repository at this point in the history

  4. add integration test for skip

    @fgrunewald
    fgrunewald committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    1458177 View commit details
    Browse the repository at this point in the history

  5. propagate the skip flag

    @fgrunewald
    fgrunewald committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    7df37e3 View commit details
    Browse the repository at this point in the history

Commits on Jun 21, 2024

  1. remove comment

    @fgrunewald
    fgrunewald committed Jun 21, 2024
    Configuration menu
    Copy the full SHA
    5c5dc2d View commit details
    Browse the repository at this point in the history

  2. use hashes for fast graph comparions

    @fgrunewald
    fgrunewald committed Jun 21, 2024
    Configuration menu
    Copy the full SHA
    703741e View commit details
    Browse the repository at this point in the history

  3. add docstrings

    @fgrunewald
    fgrunewald committed Jun 21, 2024
    Configuration menu
    Copy the full SHA
    c70092c View commit details
    Browse the repository at this point in the history

  4. add test

    @fgrunewald
    fgrunewald committed Jun 21, 2024
    Configuration menu
    Copy the full SHA
    d9b5c37 View commit details
    Browse the repository at this point in the history

  5. fix doc-string

    @fgrunewald
    fgrunewald committed Jun 21, 2024
    Configuration menu
    Copy the full SHA
    be1b4b4 View commit details
    Browse the repository at this point in the history

  6. update doc-string and function name; clean up tests

    @fgrunewald
    fgrunewald committed Jun 21, 2024
    Configuration menu
    Copy the full SHA
    9bd2b17 View commit details
    Browse the repository at this point in the history

  7. use hashes consistently and add test when skipping filter

    @fgrunewald
    fgrunewald committed Jun 21, 2024
    Configuration menu
    Copy the full SHA
    dbb3418 View commit details
    Browse the repository at this point in the history

  8. indent lint

    @fgrunewald
    fgrunewald committed Jun 21, 2024
    Configuration menu
    Copy the full SHA
    808d43c View commit details
    Browse the repository at this point in the history