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Merge pull request #200 from UC-Davis-molecular-computing/dev
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Dev
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dave-doty authored Jul 8, 2022
2 parents 1fc5505 + 99f5ff9 commit 7f48ca1
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Showing 8 changed files with 762 additions and 111 deletions.
3 changes: 2 additions & 1 deletion doc/conf.py
Original file line number Diff line number Diff line change
Expand Up @@ -63,7 +63,8 @@ def extract_version(filename: str):
extensions = [
'sphinx.ext.autodoc',
'sphinx.ext.viewcode',
# 'sphinx.ext.napoleon',
'sphinx.ext.napoleon',
# 'sphinxcontrib.napoleon', # found this online but 'sphinx.ext.napoleon' seems to work
]

autodoc_typehints = "description"
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24 changes: 12 additions & 12 deletions examples/many_strands_no_common_domains.py
Original file line number Diff line number Diff line change
Expand Up @@ -73,21 +73,21 @@ def main() -> None:
design = nc.Design(strands)

numpy_constraints: List[NumpyConstraint] = [
# dc.NearestNeighborEnergyConstraint(-9.3, -9.0, 52.0),
# dc.BaseCountConstraint(base='G', high_count=1),
# dc.BaseEndConstraint(bases=('C', 'G')),
# dc.RunsOfBasesConstraint(['C', 'G'], 4),
# dc.RunsOfBasesConstraint(['A', 'T'], 4),
# dc.BaseEndConstraint(bases=('A', 'T')),
# dc.BaseEndConstraint(bases=('C', 'G'), distance_from_end=1),
# dc.BaseAtPositionConstraint(bases='T', position=3),
# dc.ForbiddenSubstringConstraint(['GGGG', 'CCCC']),
# dc.RestrictBasesConstraint(bases=['A', 'T', 'C']),
nc.NearestNeighborEnergyConstraint(-9.3, -9.0, 52.0),
# nc.BaseCountConstraint(base='G', high_count=1),
# nc.BaseEndConstraint(bases=('C', 'G')),
# nc.RunsOfBasesConstraint(['C', 'G'], 4),
# nc.RunsOfBasesConstraint(['A', 'T'], 4),
# nc.BaseEndConstraint(bases=('A', 'T')),
# nc.BaseEndConstraint(bases=('C', 'G'), distance_from_end=1),
# nc.BaseAtPositionConstraint(bases='T', position=3),
# nc.ForbiddenSubstringConstraint(['GGGG', 'CCCC']),
# nc.RestrictBasesConstraint(bases=['A', 'T', 'C']),
]

# def nupack_binding_energy_in_bounds(seq: str) -> bool:
# energy = dv.binding_complement(seq, 52)
# dc.logger.debug(f'nupack complement binding energy = {energy}')
# nc.logger.debug(f'nupack complement binding energy = {energy}')
# return -11 < energy < -9
#
# # list of functions:
Expand Down Expand Up @@ -151,7 +151,7 @@ def main() -> None:
# strand_pair_nupack_constraint,
# domain_pair_nupack_constraint,
# domain_pairs_rna_duplex_constraint,
# strand_pairs_rna_duplex_constraint,
strand_pairs_rna_duplex_constraint,
# strand_base_pair_prob_constraint,
# nc.domains_not_substrings_of_each_other_constraint(),
],
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2 changes: 1 addition & 1 deletion nuad/__version__.py
Original file line number Diff line number Diff line change
@@ -1 +1 @@
version = '0.1.6' # version line; WARNING: do not remove or change this line or comment
version = '0.1.7' # version line; WARNING: do not remove or change this line or comment
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