OEHierResidue¶
class OEHierResidue
This is the lowest temporary object in the hierarchical view. OEHierResidue objects are available from within the OEHierFragment object and give access to the OEAtomBase objects within the molecule at the time the parent OEHierView was created. Any atom deletions or additions after the creation of the OEHierView will not be available in the object. However, changes to atoms or bonds will be available via the OEAtomBase API. The bonds of a molecule are not directly available through the OEHierView object, but instead must be accessed via the OEAtomBase.GetBonds API point.
This class represents OEHierResidue.
Constructors¶
OEHierResidue()
OEHierResidue(OEHierResImpl *i)
OEHierResidue(const OEHierResidue &)
Default and copy constructors.
GetAtom¶
OEChem::OEAtomBase *GetAtom(unsigned pdbAtomIdx)
const OEChem::OEAtomBase *GetAtom(unsigned pdbAtomIdx) const
Returns an atom specified by the PDB atom index.
GetAtoms¶
OESystem::OEIterBase<OEChem::OEAtomBase> *GetAtoms()
OESystem::OEIterBase<const OEChem::OEAtomBase> *GetAtoms() const
Returns an iterator over all of the atoms in the residue.
GetOEResidue¶
const OEChem::OEResidue &GetOEResidue() const
This returns an arbitrary OEResidue object associated with this OEHierResidue.
See also
- Example program ResHist.java
GetResidueNumber¶
int GetResidueNumber() const
Returns the integer representation of the residue number for this residue of the fragment.