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2019.12
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core
chemical
Atom
core::chemical::Atom Member List
This is the complete list of members for
core::chemical::Atom
, including all inherited members.
abs_stereochem_
core::chemical::Atom
private
absolute_stereochemistry
() const
core::chemical::Atom
inline
Atom
()
core::chemical::Atom
Atom
(std::string const &name_in, std::string const &mm_name, Size const mm_atom_type_index, ElementCOP element, Real const charge, Vector const &ideal_xyz)
core::chemical::Atom
Atom
(Atom const &src)
core::chemical::Atom
atom_type_index
() const
core::chemical::Atom
inline
atom_type_index
(Size const &atom_type_index)
core::chemical::Atom
inline
atom_type_index_
core::chemical::Atom
private
bonded_orbitals
() const
core::chemical::Atom
inline
bonded_orbitals
()
core::chemical::Atom
inline
bonded_orbitals_
core::chemical::Atom
private
charge
() const
core::chemical::Atom
inline
charge
(Real const &charge)
core::chemical::Atom
inline
charge_
core::chemical::Atom
private
element
() const
core::chemical::Atom
element_
core::chemical::Atom
private
element_type
() const
core::chemical::Atom
inline
element_type
(ElementCOP element)
core::chemical::Atom
inline
formal_charge
() const
core::chemical::Atom
inline
formal_charge
(int charge)
core::chemical::Atom
inline
formal_charge_
core::chemical::Atom
private
gasteiger_atom_type
() const
core::chemical::Atom
gasteiger_atom_type
(core::chemical::gasteiger::GasteigerAtomTypeDataCOP gasteiger_atom_type)
core::chemical::Atom
gasteiger_atom_type_
core::chemical::Atom
private
greek_d_
core::chemical::Atom
private
greek_distance
() const
core::chemical::Atom
inline
greek_distance
(GreekDistance const setting)
core::chemical::Atom
has_orbitals
() const
core::chemical::Atom
inline
has_orbitals
(bool orbitals)
core::chemical::Atom
inline
has_orbitals_
core::chemical::Atom
private
has_property
(std::string const &property) const
core::chemical::Atom
inline
has_property
(AtomProperty const property) const
core::chemical::Atom
inline
heavyatom_has_polar_hydrogens
() const
core::chemical::Atom
inline
heavyatom_has_polar_hydrogens
(bool setting)
core::chemical::Atom
inline
ideal_xyz
() const
core::chemical::Atom
inline
ideal_xyz
(Vector const &ideal_xyz)
core::chemical::Atom
inline
ideal_xyz_
core::chemical::Atom
private
is_acceptor
() const
core::chemical::Atom
inline
is_acceptor
(bool setting)
core::chemical::Atom
inline
is_fake
() const
core::chemical::Atom
is_haro
() const
core::chemical::Atom
inline
is_haro
(bool setting)
core::chemical::Atom
inline
is_hydrogen
() const
core::chemical::Atom
inline
is_hydrogen
(bool setting)
core::chemical::Atom
inline
is_hydrogen_
core::chemical::Atom
private
is_polar_hydrogen
() const
core::chemical::Atom
inline
is_polar_hydrogen
(bool setting)
core::chemical::Atom
inline
is_virtual
() const
core::chemical::Atom
inline
is_virtual
(bool setting)
core::chemical::Atom
inline
mm_atom_type_index
() const
core::chemical::Atom
inline
mm_atom_type_index
(Size const &mm_atom_type_index)
core::chemical::Atom
inline
mm_atom_type_index_
core::chemical::Atom
private
mm_name
() const
core::chemical::Atom
inline
mm_name
(std::string const &name)
core::chemical::Atom
inline
mm_name_
core::chemical::Atom
private
name
() const
core::chemical::Atom
inline
name
(std::string const &name)
core::chemical::Atom
inline
name_
core::chemical::Atom
private
operator=
(Atom const &atom)
core::chemical::Atom
operator==
(Atom const &atom) const
core::chemical::Atom
inline
properties
() const
core::chemical::Atom
inline
properties_
core::chemical::Atom
private
set_absolute_stereochemistry
(char const setting)
core::chemical::Atom
set_property
(std::string const &property, bool const setting)
core::chemical::Atom
inline
set_property
(AtomProperty const property, bool const setting)
core::chemical::Atom
inline
show
(std::ostream &out=std::cout) const
core::chemical::Atom
~Atom
()
core::chemical::Atom
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