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reformat all to rpxdock style
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willsheffler committed Sep 29, 2020
1 parent bcbfac5 commit 38558d8
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Showing 85 changed files with 7,401 additions and 8,136 deletions.
2 changes: 2 additions & 0 deletions .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -82,6 +82,8 @@ _khash_ffi.c

.worms_pytest_cache/splices
.worms_pytest_cache/poses
.worms_pytest_cache/bblock
.worms_pytest_cache_disabled

*.info
*.pdb
241 changes: 0 additions & 241 deletions .style.yapf

This file was deleted.

36 changes: 16 additions & 20 deletions docs/conf.py
Original file line number Diff line number Diff line change
Expand Up @@ -192,20 +192,18 @@
# -- Options for LaTeX output ------------------------------------------

latex_elements = {
# The paper size ('letterpaper' or 'a4paper').
#'papersize': 'letterpaper',
# The font size ('10pt', '11pt' or '12pt').
#'pointsize': '10pt',
# Additional stuff for the LaTeX preamble.
#'preamble': '',
# The paper size ('letterpaper' or 'a4paper').
#'papersize': 'letterpaper',
# The font size ('10pt', '11pt' or '12pt').
#'pointsize': '10pt',
# Additional stuff for the LaTeX preamble.
#'preamble': '',
}

# Grouping the document tree into LaTeX files. List of tuples
# (source start file, target name, title, author, documentclass
# [howto/manual]).
latex_documents = [
("index", "worms.tex", u"worms Documentation", u"Will Sheffler", "manual")
]
latex_documents = [("index", "worms.tex", u"worms Documentation", u"Will Sheffler", "manual")]

# The name of an image file (relative to this directory) to place at
# the top of the title page.
Expand Down Expand Up @@ -241,17 +239,15 @@
# Grouping the document tree into Texinfo files. List of tuples
# (source start file, target name, title, author,
# dir menu entry, description, category)
texinfo_documents = [
(
"index",
"worms",
u"worms Documentation",
u"Will Sheffler",
"worms",
"One line description of project.",
"Miscellaneous",
)
]
texinfo_documents = [(
"index",
"worms",
u"worms Documentation",
u"Will Sheffler",
"worms",
"One line description of project.",
"Miscellaneous",
)]

# Documents to append as an appendix to all manuals.
# texinfo_appendices = []
Expand Down
42 changes: 21 additions & 21 deletions examples/build_worms_database.py
Original file line number Diff line number Diff line change
Expand Up @@ -10,24 +10,24 @@

if __name__ == "__main__":

info("sent to info")

args = get_cli_args(dbfiles=[""], cachedirs=[""], read_new_pdbs=False, parallel=0)
if args.parallel == 0:
args.parallel = 1

pyrosetta.init("-mute all -ignore_unrecognized_res")

try:
pp = CachingBBlockDB(
dbfiles=args.dbfiles,
nprocs=args.parallel,
cachedirs=args.cachedirs,
read_new_pdbs=args.read_new_pdbs,
lazy=False,
)
print("new entries", pp.n_new_entries)
print("missing entries", pp.n_missing_entries)
print("total entries", len(pp._bblock_cache))
except AssertionError as e:
print(e)
info("sent to info")

args = get_cli_args(dbfiles=[""], cachedirs=[""], read_new_pdbs=False, parallel=0)
if args.parallel == 0:
args.parallel = 1

pyrosetta.init("-mute all -ignore_unrecognized_res")

try:
pp = CachingBBlockDB(
dbfiles=args.dbfiles,
nprocs=args.parallel,
cachedirs=args.cachedirs,
read_new_pdbs=args.read_new_pdbs,
lazy=False,
)
print("new entries", pp.n_new_entries)
print("missing entries", pp.n_missing_entries)
print("total entries", len(pp._bblock_cache))
except AssertionError as e:
print(e)
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