GromacsMDSetupUnit

[hannahbaumann]

Description

Provide a brief description of the PR's purpose here.

Todos

Notable points that this PR has either accomplished or will accomplish.

• TODO 1

Questions

• Question1

Status

• Ready to go

[pep8speaks]

Hello @hannahbaumann! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

• In the file openfe_gromacs/protocols/gromacs_md/md_methods.py:

Line 4:80: E501 line too long (80 > 79 characters)
Line 29:80: E501 line too long (80 > 79 characters)
Line 63:80: E501 line too long (86 > 79 characters)
Line 184:80: E501 line too long (80 > 79 characters)
Line 281:80: E501 line too long (82 > 79 characters)
Line 418:80: E501 line too long (84 > 79 characters)
Line 511:80: E501 line too long (81 > 79 characters)
Line 515:80: E501 line too long (87 > 79 characters)
Line 549:80: E501 line too long (85 > 79 characters)
Line 575:80: E501 line too long (81 > 79 characters)
Line 582:80: E501 line too long (85 > 79 characters)
Line 626:80: E501 line too long (82 > 79 characters)
Line 671:80: E501 line too long (84 > 79 characters)

• In the file openfe_gromacs/tests/conftest.py:

Line 78:80: E501 line too long (84 > 79 characters)
Line 208:80: E501 line too long (83 > 79 characters)
Line 210:80: E501 line too long (87 > 79 characters)

• In the file openfe_gromacs/tests/protocols/conftest.py:

Line 94:80: E501 line too long (80 > 79 characters)
Line 115:80: E501 line too long (82 > 79 characters)
Line 117:80: E501 line too long (86 > 79 characters)
Line 146:80: E501 line too long (82 > 79 characters)
Line 148:80: E501 line too long (86 > 79 characters)
Line 162:80: E501 line too long (81 > 79 characters)

• In the file openfe_gromacs/tests/protocols/test_gromacs_md.py:

Line 47:80: E501 line too long (91 > 79 characters)
Line 114:80: E501 line too long (80 > 79 characters)
Line 138:80: E501 line too long (80 > 79 characters)
Line 183:80: E501 line too long (83 > 79 characters)

• In the file openfe_gromacs/tests/protocols/test_md_tokenization.py:

Line 15:80: E501 line too long (88 > 79 characters)

Comment last updated at 2024-09-20 10:21:06 UTC