ChemicalDetailsKit(int natom_in, int nres_in, int nmol_in, int free_dof_in, int cnst_dof_in, const char4 *atom_names_in, const char4 *res_names_in, const char4 *atom_types_in, const int *z_numbers_in, const int *res_limits_in, const int *atom_numbers_in, const int *res_numbers_in, const int *mol_home_in, const int *mol_contents_in, const int *mol_limits_in, const double *masses_in, const float *sp_masses_in, const double *inv_masses_in, const float *sp_inv_masses_in) | stormm::topology::ChemicalDetailsKit | |