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2021.16
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core
chemical
AtomType
core::chemical::AtomType Member List
This is the complete list of members for
core::chemical::AtomType
, including all inherited members.
add_property
(std::string const &property)
core::chemical::AtomType
atom_has_orbital
() const
core::chemical::AtomType
inline
atom_has_orbitals_
core::chemical::AtomType
private
atom_is_repulsive_
core::chemical::AtomType
private
atom_is_virtual_
core::chemical::AtomType
private
atom_type_name
() const
core::chemical::AtomType
inline
AtomType
()
core::chemical::AtomType
inline
AtomType
(std::string const &name_in, std::string element_in)
core::chemical::AtomType
inline
AtomType
(AtomType const &)=default
core::chemical::AtomType
clear_properties
()
core::chemical::AtomType
element
() const
core::chemical::AtomType
inline
element_
core::chemical::AtomType
private
extra_parameter
(Size const index) const
core::chemical::AtomType
inline
extra_parameters_
core::chemical::AtomType
private
get_all_properties
() const
core::chemical::AtomType
hybridization
() const
core::chemical::AtomType
inline
hybridization_
core::chemical::AtomType
private
is_acceptor
() const
core::chemical::AtomType
inline
is_acceptor_
core::chemical::AtomType
private
is_aromatic
() const
core::chemical::AtomType
inline
is_aromatic_
core::chemical::AtomType
private
is_donor
() const
core::chemical::AtomType
inline
is_donor_
core::chemical::AtomType
private
is_h2o
() const
core::chemical::AtomType
inline
is_h2o_
core::chemical::AtomType
private
is_haro
() const
core::chemical::AtomType
inline
is_heavyatom
() const
core::chemical::AtomType
inline
is_hydrogen
() const
core::chemical::AtomType
inline
is_polar_hydrogen
() const
core::chemical::AtomType
inline
is_polar_hydrogen_
core::chemical::AtomType
private
is_repulsive
() const
core::chemical::AtomType
inline
is_virtual
() const
core::chemical::AtomType
inline
lj_radius
() const
core::chemical::AtomType
inline
lj_radius_
core::chemical::AtomType
private
lj_wdepth
() const
core::chemical::AtomType
inline
lj_wdepth_
core::chemical::AtomType
private
lk_dgfree
() const
core::chemical::AtomType
inline
lk_dgfree_
core::chemical::AtomType
private
lk_lambda
() const
core::chemical::AtomType
inline
lk_lambda_
core::chemical::AtomType
private
lk_volume
() const
core::chemical::AtomType
inline
lk_volume_
core::chemical::AtomType
private
name
(std::string const &setting)
core::chemical::AtomType
inline
name
() const
core::chemical::AtomType
inline
name_
core::chemical::AtomType
private
operator<<
(std::ostream &out, const AtomType &atom_type)
core::chemical::AtomType
friend
print
(std::ostream &out) const
core::chemical::AtomType
set_all_extra_parameters
(utility::vector1< Real > const &extra_parameters)
core::chemical::AtomType
set_extra_parameter
(Size const index, Real const setting)
core::chemical::AtomType
inline
set_parameter
(std::string const ¶m, Real const setting)
core::chemical::AtomType
set_property
(std::string const &property, bool const setting)
core::chemical::AtomType
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