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.

operator=¶

OEHierResidue &operator=(const OEHierResidue &)

Default assignment operator

GetAtom¶

OEChem::OEAtomBase *GetAtom(unsigned pdbAtomIdx)
const OEChem::OEAtomBase *GetAtom(unsigned pdbAtomIdx) const

Returns an atom specified by the residue name, residue number and atom name.

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.

GetResidueName¶

const char *GetResidueName() const

GetResidueNumber¶

int GetResidueNumber() const

Returns the integer representation of the residue number for this residue of the fragment.