John Mayfield dd475b3677 Fix chirality handling when the chiral atom is the first one in a SMARTS (#6730) ...

* Set _SmilesStart when parsing SMARTS.

* SmartsWriter should also invert first atoms, like SMILES.

* Update test cases now these SMILES match themselves as SMARTS.

* rerun bison

* cleanup a possible repeated define

* When an atom moves from the first to second position winding should flip in SMARTS (i.e. same as SMILES).

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Co-authored-by: greg landrum <greg.landrum@gmail.com>

2023-10-05 06:02:49 +02:00

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