mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
6d75052459
* iterators for random-access MolSuppliers add optional caching to SDMolSupplier * add support to SmilesMolSupplier too There is a lot of duplicate code between the random-access suppliers that would be worth trying to remove but at the moment it looks like it would require multiple inheritance, and I think we want to avoid that * add input iterators for ForwardSDMolSupplier() * throw when calling begin() on a used supplier * switch to use the spaceship operator * init() should reset the mol cache * Make SDMolSupplier and SmilesMolSupplier safe for multi-threaded reads * add benchmarking * add TDTMolSupplier support improved testing add benchmarks for parallel iteration optional TBB support * better const handling, add reverse iterators doesn't look like const_iterator is possible since getting data from the underlyng supplier object is non-const * improve docs more usings add reverse iterator to TDTMolSupplier * tests only try execution::par when it is there * fix typo * more testing/demo * remove accidentally added files * review changes * add default ctors * disable a false-positive compiler warning it is stupid to have to do this --------- Co-authored-by: = <=>