| ChemicalFeaturesReader(int atom_count_in, int planar_atom_count_in, int ring_count_in, int fused_ring_count_in, int twistable_ring_count_in, int conjugated_group_count_in, int aromatic_group_count_in, int polar_hydrogen_count_in, int hbond_donor_count_in, int hbond_acceptor_count_in, int chiral_center_count_in, int rotatable_bond_count_in, int cis_trans_bond_count_in, int double_bond_count_in, int triple_bond_count_in, int max_ring_size_in, double temperature_in, bool rotating_groups_mapped_in, bool chiralities_computed_in, const int *planar_centers_in, const int *ring_atoms_in, const int *ring_atom_bounds_in, const int *aromatic_pi_electrons_in, const int *aromatic_groups_in, const int *aromatic_group_bounds_in, const int *polar_hydrogens_in, const int *hydrogen_bond_donors_in, const int *hydrogen_bond_acceptors_in, const int *chiral_centers_in, const int *chiral_inversion_methods_in, const int *rotatable_groups_in, const int *rotatable_group_bounds_in, const int *cis_trans_groups_in, const int *cis_trans_group_bounds_in, const int *invertible_groups_in, const int *invertible_group_bounds_in, const int4 *chiral_arm_atoms_in, const double *formal_charges_in, const double *bond_orders_in, const double *free_electrons_in, const ullint *ring_inclusion_in, const AtomGraph *ag_pointer_in) | stormm::structure::ChemicalFeaturesReader | |
1.13.2