Class Adduct

__init__( (object)arg1) -> None :

    C++ signature :
        void __init__(_object*)

__init__( (object)arg1, (Adduct)) -> None :
    Description of optional single-atom residue adducts
    

    C++ signature :
        void __init__(_object*,core::chemical::Adduct)

__init__( (object)arg1, (str)adduct_name, (str)atom_name, (str)atom_type_name, (str)mm_atom_type_name, (float)atom_charge_in, (float)phi_in, (float)theta_in, (float)d_in, (str)stub_atom1_name, (str)stub_atom2_name, (str)stub_atom3_name) -> None :
    constructor
    

    C++ signature :
        void __init__(_object*,std::string,std::string,std::string,std::string,double,double,double,double,std::string,std::string,std::string)

Overrides: object.__init__

helper for pickle

Overrides: object.__reduce__

(inherited documentation)

adduct_name( (Adduct)arg1) -> str :
    accessor to adduct_name string
    

    C++ signature :
        std::string adduct_name(core::chemical::Adduct {lvalue})

atom_charge( (Adduct)arg1) -> float :
    core/chemical/Adduct.hh:65

    C++ signature :
        double atom_charge(core::chemical::Adduct {lvalue})

atom_name( (Adduct)arg1) -> str :
    accessor to atom_name string
    

    C++ signature :
        std::string atom_name(core::chemical::Adduct {lvalue})

atom_type_name( (Adduct)arg1) -> str :
    accessor to atom type string
    

    C++ signature :
        std::string atom_type_name(core::chemical::Adduct {lvalue})

d( (Adduct)arg1) -> float :
    core/chemical/Adduct.hh:74

    C++ signature :
        double d(core::chemical::Adduct {lvalue})

mm_atom_type_name( (Adduct)arg1) -> str :
    accessor to mm type string
    

    C++ signature :
        std::string mm_atom_type_name(core::chemical::Adduct {lvalue})

phi( (Adduct)arg1) -> float :
    accessor for Adduct geometric info
    

    C++ signature :
        double phi(core::chemical::Adduct {lvalue})

stub_atom( (Adduct)arg1, (int)atm) -> str :
    const accessor to stub_atom strings by index
    

    C++ signature :
        std::string stub_atom(core::chemical::Adduct {lvalue},int)

stub_atom1( (Adduct)arg1) -> str :
    accessor to stub_atom1 name string
    

    C++ signature :
        std::string stub_atom1(core::chemical::Adduct {lvalue})

stub_atom2( (Adduct)arg1) -> str :
    accessor to stub_atom2 name string
    

    C++ signature :
        std::string stub_atom2(core::chemical::Adduct {lvalue})

stub_atom3( (Adduct)arg1) -> str :
    accessor to stub_atom3 name string
    

    C++ signature :
        std::string stub_atom3(core::chemical::Adduct {lvalue})

theta( (Adduct)arg1) -> float :
    core/chemical/Adduct.hh:71

    C++ signature :
        double theta(core::chemical::Adduct {lvalue})