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use semicolons not whitespace for op delimiters
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Kevin Dalton committed Mar 5, 2024
1 parent 013dec0 commit ee226e7
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Showing 2 changed files with 2 additions and 2 deletions.
2 changes: 1 addition & 1 deletion careless/args/prior.py
Original file line number Diff line number Diff line change
Expand Up @@ -48,7 +48,7 @@
(
("--double-wilson-reindexing-ops",),
{
"help": 'Provide whitespace-delimited reindexing operators to remap miller indices from the child ASU to the parent. For root nodes or nodes with parents in the same setting, supply the identity operator x,y,z. For example --double-wilson-reindexing-ops="x,y,z x-y,x,z+1/2". Note that quotations need to be used to prevent shell-expansion.',
"help": 'Provide semicolon-delimited reindexing operators to remap miller indices from the child ASU to the parent. For root nodes or nodes with parents in the same setting, supply the identity operator x,y,z. For example --double-wilson-reindexing-ops=x,y,z;x-y,x,z+1/2.',
"type": str,
"default": None,
"dest": "reindexing_ops",
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2 changes: 1 addition & 1 deletion careless/io/manager.py
Original file line number Diff line number Diff line change
Expand Up @@ -414,7 +414,7 @@ def build_model(self, parser=None, surrogate_posterior=None, prior=None, likelih
sigma = self.get_wilson_sigma(parser.wilson_prior_b)
reindexing_ops = parser.reindexing_ops
if reindexing_ops is not None:
delim = None #Whitespace
delim = ';'
reindexing_ops = [gemmi.Op(i) for i in reindexing_ops.split(delim)]

prior = DoubleWilsonPrior(self.asu_collection, parents, r_values, reindexing_ops, sigma=sigma)
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