#include <utility/pointer/owning_ptr.hh>
#include <utility/vector1.fwd.hh>
|
| enum | core::chemical::BondName {
core::chemical::UnknownBond =0,
core::chemical::SingleBond =1,
core::chemical::DoubleBond =2,
core::chemical::TripleBond =3,
core::chemical::AromaticBond =4,
core::chemical::OrbitalBond =5,
core::chemical::PseudoBond =99
} |
| |
| enum | core::chemical::BondOrder {
core::chemical::UnknownBondOrder =0,
core::chemical::SingleBondOrder =1,
core::chemical::DoubleBondOrder =2,
core::chemical::TripleBondOrder =3,
core::chemical::OrbitalBondOrder,
core::chemical::DeleteBondOrder,
core::chemical::PseudoBondOrder =99
} |
| |
| enum | core::chemical::BondConjugability { core::chemical::UnknownConjugability,
core::chemical::NotConjugableBond,
core::chemical::ConjugableBond
} |
| | As with the BCL, bond conjugability is more about the atom types on either end of the bond than about the bond itself. A conjugatable bond is one where it is known that the atoms on both sides of the bond can participate in a conjugated system. Double, triple and aromatic bonds are always conjugatable, and single bonds are conjugatable if both atoms are in other triple, double, or aromatic systems. More...
|
| |
| enum | core::chemical::BondRingness { core::chemical::UnknownRingness,
core::chemical::BondNotInRing,
core::chemical::BondInRing
} |
| |
| enum | core::chemical::BondAromaticity { core::chemical::UnknownAromaticity,
core::chemical::NonaromaticBond,
core::chemical::IsAromaticBond
} |
| | Proper aromaticity implies participation in a 4n+2 electron ring system. For simple single-double alternation, see conjugatable bond. More...
|
| |
| enum | core::chemical::BondIsometry { core::chemical::UnknownIsometry,
core::chemical::NoBondIsometry,
core::chemical::EIsometry,
core::chemical::ZIsometry
} |
| |
1.8.7