Allow unrecognized atom types when strictParsing=False #5891
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We should just read them in as dummies instead of throwing an exception. A bit of light refactoring to accompany that
bp-kelley
reviewed
Dec 26, 2022
| @@ -1378,6 +1378,21 @@ void setRGPProps(const std::string_view symb, Atom *res) { | |||
| std::string symbc(symb); | |||
| res->setProp(common_properties::dummyLabel, symbc); | |||
| } | |||
|
|
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| void lookupAtomicNumber(Atom *res, const std::string &symb, bool strictParsing) { | |||
| try { | |||
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It seems like using exceptions is a pretty heavy hammer, is there another way to tell whether we have a valid atomic number?
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I take it back, it looks like this should be (TM) faster than an if statement.
bp-kelley
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Dec 28, 2022
greglandrum
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fix/allow_bad_atom_names_without_strictParsing
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greglandrum
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Feb 23, 2023
We should just read them in as dummies instead of throwing an exception. A bit of light refactoring to accompany that
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We should just read them in as dummies instead of throwing an exception.
There's a light bit of refactoring in here as well.