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virtual void SetIdx(unsigned int) = 0 virtual unsigned int GetIdx() const = 0
These functions allow access to the unique conformer index. It is not
recommended that a user call the OEConfBaseT::SetIdx() function.
This value is assigned by OEChem
when a conformer is created. The conformer index is unique for the
conformers of a
given molecule, and is stable (not reused) for the lifetime of that
OEMCMolBase. These values may not be assigned sequentially, and may
contain gaps. Conformer indices are guaranteed to be less than
OEMCMolBase::GetMaxConfIdx. Conformer indices are typically only used for
efficiently storing data in arrays (or vectors) externally to the
OEMCMolBase. They arrays can be conveniently indexed via
OEConfBaseT::GetIdx(). For iterating across the conformers of a molecule,
use OEMCMolBase::GetConfs() and for keeping track of a particular conformer
use an OEConfBase*.
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