|
NuriKit v0.1.0b2
|
This is the complete list of members for nuri::AtomData, including all inherited members.
| add_flags(AtomFlags flags) | nuri::AtomData | inline |
| add_prop(KT &&key, VT &&val) | nuri::AtomData | inline |
| AtomData() | nuri::AtomData | inline |
| AtomData(const Element &element, int implicit_hydrogens=0, int formal_charge=0, constants::Hybridization hyb=constants::kOtherHyb, double partial_charge=0.0, int mass_number=-1, bool is_aromatic=false, bool is_in_ring=false, bool is_chiral=false, bool is_clockwise=false) | nuri::AtomData | |
| atomic_number() const | nuri::AtomData | inline |
| atomic_weight() const | nuri::AtomData | inline |
| del_flags(AtomFlags flags) | nuri::AtomData | inline |
| element() const noexcept | nuri::AtomData | inline |
| element_name() const | nuri::AtomData | inline |
| element_symbol() const | nuri::AtomData | inline |
| explicit_isotope() const | nuri::AtomData | inline |
| flags() const | nuri::AtomData | inline |
| formal_charge() const | nuri::AtomData | inline |
| get_name() const | nuri::AtomData | inline |
| hybridization() const | nuri::AtomData | inline |
| implicit_hydrogens() const | nuri::AtomData | inline |
| is_aromatic() const | nuri::AtomData | inline |
| is_chiral() const | nuri::AtomData | inline |
| is_clockwise() const | nuri::AtomData | inline |
| is_conjugated() const | nuri::AtomData | inline |
| is_ring_atom() const | nuri::AtomData | inline |
| isotope() const | nuri::AtomData | inline |
| operator==(const AtomData &lhs, const AtomData &rhs) | nuri::AtomData | friend |
| partial_charge() const | nuri::AtomData | inline |
| props() | nuri::AtomData | inline |
| props() const | nuri::AtomData | inline |
| reset_flags() | nuri::AtomData | inline |
| set_aromatic(bool is_aromatic) | nuri::AtomData | inline |
| set_chiral(bool is_chiral) | nuri::AtomData | inline |
| set_clockwise(bool is_clockwise) | nuri::AtomData | inline |
| set_conjugated(bool is_conjugated) | nuri::AtomData | inline |
| set_element(const Element &element) | nuri::AtomData | inline |
| set_element(int atomic_number) | nuri::AtomData | inline |
| set_formal_charge(int charge) | nuri::AtomData | inline |
| set_hybridization(constants::Hybridization hyb) | nuri::AtomData | inline |
| set_implicit_hydrogens(int implicit_hydrogens) | nuri::AtomData | inline |
| set_isotope(const Isotope &isotope) | nuri::AtomData | inline |
| set_isotope(int mass_number) | nuri::AtomData | inline |
| set_name(ST &&name) | nuri::AtomData | inline |
| set_partial_charge(double charge) | nuri::AtomData | inline |
| set_ring_atom(bool is_ring_atom) | nuri::AtomData | inline |