Subsections

4.3 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 throught the OEHierView object, but instead must be accessed via the OEAtomBase::GetBonds api point.

4.3.1 Constructors

OEHierResidue();
OEHierResidue(const OEHierResidue &);

Default and copy constructors

4.3.2 operator =

OEHierResidue &operator=(const OEHierResidue &);

Default assignment operator

4.3.3 Destructor

~OEHierResidue();

Cleans up all memory and destroys object.

4.3.4 GetResidueNumber

int GetResidueNumber() const;

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

4.3.5 GetOEResidue

const OEResidue &GetOEResidue() const;

This returns an arbitrary OEResidue object associated with this OEHierResidue.

4.3.6 GetAtom

OEChem::OEAtomBase *GetAtom(const char* resName,
                            int resIdx, unsigned pdbAtomIdx);
const OEChem::OEAtomBase *GetAtom(const char* resName,
                                  int resIdx, unsigned pdbAtomIdx) const;

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

4.3.7 GetAtoms

OESystem::OEIterBase<OEAtomBase>* GetAtoms();
OESystem::OEIterBase<const OEAtomBase>* GetAtoms() const;

Returns an interator over all of the atoms in the residue.

				OEChem - API Manual

				OEChem - API Manual