merkys / Chemistry-OpenSMILES

OpenSMILES format reader and writer
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Detection of trivial tetrahedral chiral centers does not account for H atoms in square brackets #2

Closed merkys closed 3 years ago

merkys commented 3 years ago

Detection of trivial (i.e., not even chiral) tetrahedral chiral centers does not consider H atoms in square brackets as attachments to the central atom in raw parsing mode.

merkys commented 3 years ago

Fixed in 61f9fdb18524311176b06a5ce806a6f3c7bdec0a.