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Fix atomic-energy loss prefactor documentation #160

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Fix atomic-energy loss prefactor documentation #160

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6 changes: 3 additions & 3 deletions tests/dpmdargs.py
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Original file line number Diff line number Diff line change
Expand Up @@ -525,7 +525,7 @@ def loss_ener() -> list[Argument]:
doc_start_pref_v = start_pref("virial")
doc_limit_pref_v = limit_pref("virial")
doc_start_pref_ae = start_pref("atom_ener")
doc_start_pref_ae = limit_pref("atom_ener")
doc_limit_pref_ae = limit_pref("atom_ener")
doc_relative_f = "If provided, relative force error will be used in the loss. The difference of force will be normalized by the magnitude of the force in the label with a shift given by `relative_f`, i.e. DF_i / ( || F || + relative_f ) with DF denoting the difference between prediction and label and || F || denoting the L2 norm of the label."
return [
Argument(
Expand Down Expand Up @@ -575,14 +575,14 @@ def loss_ener() -> list[Argument]:
[float, int],
optional=True,
default=0.00,
doc=doc_start_pref_v,
doc=doc_start_pref_ae,
),
Argument(
"limit_pref_ae",
[float, int],
optional=True,
default=0.00,
doc=doc_limit_pref_v,
doc=doc_limit_pref_ae,
),
Argument("relative_f", [float, None], optional=True, doc=doc_relative_f),
]
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10 changes: 9 additions & 1 deletion tests/test_docgen.py
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Original file line number Diff line number Diff line change
Expand Up @@ -248,7 +248,15 @@ def test_multi_variants(self) -> None:
# print("\n\n"+docstr)

def test_dpmd(self) -> None:
from .dpmdargs import gen_doc
from .dpmdargs import gen_doc, loss_ener

loss_arguments = {argument.name: argument for argument in loss_ener()}
self.assertIn(
"atom_ener loss at the start", loss_arguments["start_pref_ae"].doc
)
self.assertIn(
"atom_ener loss at the limit", loss_arguments["limit_pref_ae"].doc
)

dargs.RAW_ANCHOR = False
docstr = gen_doc(make_anchor=True, make_link=True)
Expand Down
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