Greg Landrum 3a27ca2910 V2 API for the MolSuppliers (#7168) ...

* backup

* backup

* backup

* new testing file

* reorder things in the SMILES and SMARTS parser
parameters to allow easier struct initialization

* add v2 of SmilesMolSupplier

v1 is not yet there

* add TDTMolSupplier

add some very basic tests for v1 suppliers

* more progress

* all tests passing

I think all the suppliers are now moved over

* check for maeparser before building the tests

* get SWIG builds working

* changes in response to review

2024-02-29 06:46:56 +01:00

6.4 KiB

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