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Refactor workflow initialization to remove hard dependency on topoaa
#921
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5a5a439
adding checks for duplicated parameters in defaults.yaml
VGPReys 5b109b5
trial1
VGPReys 727c23f
fix types
VGPReys c19b2cd
remove E203 and E501 lint checks from examples/run_tests.py
VGPReys 08c7fcb
add docstring in HaddockModel method
VGPReys 4285a18
workaround topoaa
VGPReys a823b62
Merge branch 'main' into workaround-topoaa
VGPReys 55e20d5
fix tests
VGPReys 65242dd
fix types and tests for clustfcc
VGPReys 537869b
Convert FilePath to Path in libontology load()
VGPReys 83793c3
adding tests
VGPReys 2784331
fix tests
VGPReys 620e6e1
tweak intergration tests
VGPReys 2c6e722
intergaration of alascan fix
VGPReys d988167
fixing integration tests
VGPReys af2aceb
creating directories in topoaa integration tests
VGPReys 69a93ce
tweak path
VGPReys 9e38b36
tweak path
VGPReys b16d202
tweak path
VGPReys a651b67
Merge branch 'main' into workaround-topoaa
VGPReys 5a6be5c
improved regex for ensemble origin parsing
VGPReys 2bc5595
Update libontology.py regex
VGPReys cdfefd4
Update cli_score.py
VGPReys 38bb99b
Update __init__.py
VGPReys 102c8f4
revision v1.1
VGPReys 85e6181
Merge branch 'main' into workaround-topoaa
VGPReys a03cdb5
modify step index of caprieval and rigidbody integration tests
VGPReys cb81025
removing List type import
VGPReys 9add2c1
adding tests
VGPReys f8d9dd4
adding tests
VGPReys 451f942
adding new exception DependencyError
VGPReys 3d2a345
adding dependency checks at workflow prepare_run
VGPReys 6e121fa
test to the DependencyError during prepare_run
VGPReys 364a5e4
fixing types
VGPReys 9f9a2d0
remove useless import
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -1,8 +1,8 @@ | ||
""" | ||
Command-line interfaces. | ||
|
||
HADDOCK3 has a series of command-line interfaces (CLIs), from which the most important | ||
one is ``haddock3``. You can ask help to the CLIs with the ``-h`` flag:: | ||
|
||
HADDOCK3 has a series of command-line interfaces (CLIs), from which the most | ||
important one is ``haddock3``. | ||
You can ask help to the CLIs with the ``-h`` flag: | ||
haddock3 -h | ||
""" |
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