From 4e5a2ba5e89a102c2cef4f7556d7ee166253c76b Mon Sep 17 00:00:00 2001 From: Luigi Bonati Date: Wed, 25 Oct 2023 01:06:43 +0200 Subject: [PATCH] [docs] changed docstring basecv --- docs/autosummary/mlcolvar.cvs.BaseCV.rst | 46 ++++++++++++++++++++++++ mlcolvar/cvs/cv.py | 2 ++ 2 files changed, 48 insertions(+) create mode 100644 docs/autosummary/mlcolvar.cvs.BaseCV.rst diff --git a/docs/autosummary/mlcolvar.cvs.BaseCV.rst b/docs/autosummary/mlcolvar.cvs.BaseCV.rst new file mode 100644 index 00000000..33fa73c0 --- /dev/null +++ b/docs/autosummary/mlcolvar.cvs.BaseCV.rst @@ -0,0 +1,46 @@ +mlcolvar.cvs.BaseCV +=================== + +.. currentmodule:: mlcolvar.cvs + +.. autoclass:: BaseCV + :members: + :show-inheritance: + :inherited-members: Module,LightningModule + + + .. automethod:: __init__ + + + .. rubric:: Methods + + .. autosummary:: + + ~BaseCV.__init__ + ~BaseCV.configure_optimizers + ~BaseCV.forward + ~BaseCV.forward_cv + ~BaseCV.initialize_blocks + ~BaseCV.initialize_transforms + ~BaseCV.parse_options + ~BaseCV.setup + ~BaseCV.test_step + ~BaseCV.validation_step + + + + +.. + + + .. rubric:: Attributes + + .. autosummary:: + + ~BaseCV.example_input_array + ~BaseCV.n_cvs + ~BaseCV.optimizer_name + + + + \ No newline at end of file diff --git a/mlcolvar/cvs/cv.py b/mlcolvar/cvs/cv.py index 05e2681a..6d4b9b36 100644 --- a/mlcolvar/cvs/cv.py +++ b/mlcolvar/cvs/cv.py @@ -4,6 +4,8 @@ class BaseCV: """ + Base collective variable class. + To inherit from this class, the class must define a BLOCKS class attribute. """