Expand description
rdkit-sys is a direct, one-to-one Rust binding against the RDKit C++ API
Rust cannot represent C++ concepts like classes, subclasses, and structs,
nor can Rust perform moves or copies. Hence, all data from the RDKit C++ API
must be moved behind a “smart pointer” which will take care of freeing
memory after being dropped, you will see this is pervasive as
a SharedPtr<T> on the Rust side or std::shared_ptr<T> on the C++ side.
It is highly recommend you read through the RDKit C++ API documentation to learn more about what exactly is possible with RDKit.
If you just want high level access to SMILES parsing and various clean up operations, please refer to the high level accompanying crate rdkit.