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virtual unsigned int GetIdx() const
Return the atom index of an atom. This value is assigned by OEChem
when an atom is created. The atom index is unique for the atoms of a
given molecule, and is stable (not reused) for the lifetime of that
OEMolBase. These values may not be assigned sequentially, and
may contain gaps. Atom indices are guaranteed to be less than
OEMolBase::GetMaxAtomIdx. Atom indices are typically only used
for efficiently storing data in arrays (or vectors) externally to the
OEMolBase. They arrays can be conveniently indexed via
OEAtomBase::GetIdx(). For iterating across the atoms of a
molecule, use OEMolBase::GetAtoms() and for keeping track of a
particular atom use an OEAtomBase*.
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