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* First pass at port Mostly auto-converted using claude sonnet 4 Things are a bit slower in this initial port. Here's some timing data for molecules from SMILES (no coords) and from SDF (with coords) # MASTER ## smiles read: 50000 mols. 9.260000s wall, 8.650000s user + 0.600000s system = 9.250000s CPU (99.9%) serialize 3.060000s wall, 2.400000s user + 0.660000s system = 3.060000s CPU (100.0%) deserialize 1.350000s wall, 1.250000s user + 0.090000s system = 1.340000s CPU (99.3%) ## SDF read: 50000 mols. 9.340000s wall, 8.930000s user + 0.400000s system = 9.330000s CPU (99.9%) serialize 6.630000s wall, 5.960000s user + 0.680000s system = 6.640000s CPU (100.2%) deserialize 1.450000s wall, 1.450000s user + 0.000000s system = 1.450000s CPU (100.0%) # Boost::JSON ## smiles read: 50000 mols. 9.250000s wall, 8.830000s user + 0.420000s system = 9.250000s CPU (100.0%) serialize 4.770000s wall, 4.410000s user + 0.350000s system = 4.760000s CPU (99.8%) deserialize 2.320000s wall, 2.100000s user + 0.230000s system = 2.330000s CPU (100.4%) ## SDF read: 50000 mols. 9.500000s wall, 9.100000s user + 0.400000s system = 9.500000s CPU (100.0%) serialize 8.760000s wall, 8.330000s user + 0.420000s system = 8.750000s CPU (99.9%) deserialize 2.540000s wall, 2.330000s user + 0.210000s system = 2.540000s CPU (100.0%) * some json parser optimization * around the edges * optimizations for the writer * hopefully get things compiling * convert the MinimalLib stuff to use boost::json Again, a lot of the lifting here was done using Claude Sonnet 4 in VS Code Copilot * fix Windows DLL build * response to review Co-authored-by: Paolo Tosco <paolo.tosco.mail@gmail.com> * better not to blindly accept suggestions * fix the problems in MinimalLib --------- Co-authored-by: Paolo Tosco <paolo.tosco.mail@gmail.com> Co-authored-by: = <=>