#pragma once #include "rust/cxx.h" #include #include namespace RDKit { // pub fn new_remove_hs_parameters() -> SharedPtr; using RemoveHsParameters = RDKit::MolOps::RemoveHsParameters; std::shared_ptr new_remove_hs_parameters(); bool get_remove_degree_zero(const std::shared_ptr ¶ms); void set_remove_degree_zero(std::shared_ptr ¶ms, bool what); bool get_remove_higher_degrees(const std::shared_ptr ¶ms); void set_remove_higher_degrees(std::shared_ptr ¶ms, bool what); bool get_remove_only_h_neighbors(const std::shared_ptr ¶ms); void set_remove_only_h_neighbors(std::shared_ptr ¶ms, bool what); bool get_remove_isotopes(const std::shared_ptr ¶ms); void set_remove_isotopes(std::shared_ptr ¶ms, bool what); bool get_remove_and_track_isotopes(const std::shared_ptr ¶ms); void set_remove_and_track_isotopes(std::shared_ptr ¶ms, bool what); bool get_remove_dummy_neighbors(const std::shared_ptr ¶ms); void set_remove_dummy_neighbors(std::shared_ptr ¶ms, bool what); bool get_remove_defining_bond_stereo(const std::shared_ptr ¶ms); void set_remove_defining_bond_stereo(std::shared_ptr ¶ms, bool what); bool get_remove_with_wedged_bond(const std::shared_ptr ¶ms); void set_remove_with_wedged_bond(std::shared_ptr ¶ms, bool what); bool get_remove_with_query(const std::shared_ptr ¶ms); void set_remove_with_query(std::shared_ptr ¶ms, bool what); bool get_remove_mapped(const std::shared_ptr ¶ms); void set_remove_mapped(std::shared_ptr ¶ms, bool what); bool get_remove_in_s_groups(const std::shared_ptr ¶ms); void set_remove_in_s_groups(std::shared_ptr ¶ms, bool what); bool get_show_warnings(const std::shared_ptr ¶ms); void set_show_warnings(std::shared_ptr ¶ms, bool what); bool get_remove_nonimplicit(const std::shared_ptr ¶ms); void set_remove_nonimplicit(std::shared_ptr ¶ms, bool what); bool get_update_explicit_count(const std::shared_ptr ¶ms); void set_update_explicit_count(std::shared_ptr ¶ms, bool what); bool get_remove_hydrides(const std::shared_ptr ¶ms); void set_remove_hydrides(std::shared_ptr ¶ms, bool what); bool get_remove_nontetrahedral_neighbors(const std::shared_ptr ¶ms); void set_remove_nontetrahedral_neighbors(std::shared_ptr ¶ms, bool what); std::shared_ptr remove_hs_parameters(const std::shared_ptr &mol, const std::shared_ptr ¶ms, bool sanitize); std::shared_ptr add_hs(const std::shared_ptr &mol, bool explicit_only, bool add_coords, bool add_residue_info); void romol_set_hybridization(std::shared_ptr &mol); // pub fn clean_up(rw_mol: &mut SharedPtr) void clean_up(std::shared_ptr &rw_mol); } // namespace RDKit