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Bond.fwd.hh File Reference
#include <utility/pointer/owning_ptr.hh>
#include <utility/vector1.fwd.hh>


 A class for reading in the atom type properties.


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 }

Detailed Description

Rocco Moretti (, Gordon Lemmon, Phil Bradley