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update doc links to new Bloom lab webpage (#184)
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* update doc links to new Bloom lab webpage

* pass `ruff` formatting w newest version

* pass doctests w latest numpy version
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jbloom authored Aug 30, 2024
1 parent 82b3923 commit 5377215
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2 changes: 1 addition & 1 deletion README.rst
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Expand Up @@ -16,7 +16,7 @@ polyclonal

Model mutational escape from polyclonal antibodies using deep mutational scanning data.

``polyclonal`` is a Python package written by `the Bloom lab <https://research.fhcrc.org/bloom/en.html>`_.
``polyclonal`` is a Python package written by `the Bloom lab <https://jbloomlab.org>`_.

See `Yu et al (2022) <https://doi.org/10.1093/ve/veac110>`_ for an explanation of the approach implemented in ``polyclonal``.

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2 changes: 1 addition & 1 deletion docs/acknowledgments.rst
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@@ -1,6 +1,6 @@
Acknowledgements
-----------------
``polyclonal`` is written by `the Bloom lab <https://research.fhcrc.org/bloom/en.html>`_.
``polyclonal`` is written by `the Bloom lab <https://jbloomlab.org>`_.

The citation for ``polyclonal`` is `Yu et al (2022) <https://doi.org/10.1093/ve/veac110>`_.

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4 changes: 2 additions & 2 deletions docs/conf.py
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Expand Up @@ -67,7 +67,7 @@
# General information about the project.
project = "polyclonal"
copyright = f"2019--{datetime.datetime.now().year}" # noqa: A001
author = "`the Bloom lab <https://research.fhcrc.org/bloom/en.html>`_"
author = "`the Bloom lab <https://jbloomlab.org/>`_"

# The version info for the project you're documenting, acts as replacement for
# |version| and |release|, also used in various other places throughout the
Expand Down Expand Up @@ -192,7 +192,7 @@
master_doc,
"polyclonal.tex",
"polyclonal Documentation",
"`the Bloom lab <https://research.fhcrc.org/bloom/en.html>`_",
"`the Bloom lab <https://jbloomlab.org>`_",
"manual",
),
]
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2 changes: 1 addition & 1 deletion docs/index.rst
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Expand Up @@ -3,7 +3,7 @@

``polyclonal`` is a Python package for modeling mutational escape from polyclonal antibodies using deep mutational scanning data.

It is written by `the Bloom lab <https://research.fhcrc.org/bloom/en.html>`_.
It is written by `the Bloom lab <https://jbloomlab.org>`_.

See `Yu et al (2022) <https://doi.org/10.1093/ve/veac110>`_ for an explanation of the approach implemented in ``polyclonal``.

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13 changes: 6 additions & 7 deletions polyclonal/polyclonal.py
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Expand Up @@ -451,7 +451,7 @@ class Polyclonal:
>>> model_data.mutations
('M1C', 'G2A', 'A4K', 'A4L')
>>> dict(sorted(model_data.mutations_times_seen.items()))
>>> {key: int(val) for (key, val) in sorted(model_data.mutations_times_seen.items())}
{'A4K': 4, 'A4L': 3, 'G2A': 6, 'M1C': 6}
The activities are evenly spaced from 1 to 0, while the mutation escapes
Expand Down Expand Up @@ -1652,8 +1652,7 @@ def _scaled_pseudo_huber(delta, r, calc_grad=False):
... lambda r: Polyclonal._scaled_pseudo_huber(2, r, False)[0],
... lambda r: Polyclonal._scaled_pseudo_huber(2, r, True)[1],
... [2])
>>> err < 1e-7
True
>>> assert err < 1e-7
"""
if delta <= 0:
Expand All @@ -1672,7 +1671,7 @@ def _loss_dloss(self, params, delta):
)
assert pred_pvs.shape == self._pvs.shape
assert dpred_pvs_dparams.shape == (len(params), len(self._pvs))
assert type(dpred_pvs_dparams) == scipy.sparse.csr_matrix
assert type(dpred_pvs_dparams) is scipy.sparse.csr_matrix
residuals = pred_pvs - self._pvs
loss, dloss_dr = self._scaled_pseudo_huber(delta, residuals, True)
assert loss.shape == dloss_dr.shape == self._pvs.shape
Expand All @@ -1684,7 +1683,7 @@ def _loss_dloss(self, params, delta):
dloss_dr = dloss_dr * self._weights
dloss_dparams = dpred_pvs_dparams.dot(dloss_dr)
assert dloss_dparams.shape == params.shape
assert type(dloss_dparams) == numpy.ndarray
assert type(dloss_dparams) is numpy.ndarray
return (loss, dloss_dparams)

def _reg_escape(self, params, weight, delta):
Expand Down Expand Up @@ -3104,7 +3103,7 @@ def _compute_pv(self, params, bmap, cs, calc_grad=False):
dpvc_dbetaparams = dpevc_dbeta.reshape(
bmap.binarylength * len(self.epitopes), n_vc
)
assert type(dpvc_dbetaparams) == scipy.sparse.coo_matrix
assert type(dpvc_dbetaparams) is scipy.sparse.coo_matrix
# combine to make dpvc_dparams, noting activities before betas
# in params
dpvc_dparams = scipy.sparse.vstack(
Expand All @@ -3115,7 +3114,7 @@ def _compute_pv(self, params, bmap, cs, calc_grad=False):
dpvc_dbetaparams.tocsr(),
]
)
assert type(dpvc_dparams) == scipy.sparse.csr_matrix
assert type(dpvc_dparams) is scipy.sparse.csr_matrix
assert dpvc_dparams.shape == (len(params), n_vc)
return p_vc, dpvc_dparams

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5 changes: 3 additions & 2 deletions ruff.toml
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@@ -1,11 +1,12 @@
select = [
lint.select = [
"E", # pycodestyle
"F", # pyflakes
"UP", # pyupgrade
"D", # pydocstyle
]
line-length = 89
extend-exclude = [
"tests",
"build",
"dist",
"docs/_build",
Expand All @@ -14,7 +15,7 @@ extend-exclude = [
"optimization_benchmarks",
".*",
]
ignore = [
lint.ignore = [
"D203",
"D205",
"D212",
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