RDKit
Open-source cheminformatics and machine learning.
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RDKit::Snapshot Member List

This is the complete list of members for RDKit::Snapshot, including all inherited members.

getEnergy() constRDKit::Snapshotinline
getPoint2D(unsigned int pointNum) constRDKit::Snapshot
getPoint3D(unsigned int pointNum) constRDKit::Snapshot
setEnergy(double energy)RDKit::Snapshotinline
Snapshot(boost::shared_array< double > pos, double energy=0.0)RDKit::Snapshotinline
TrajectoryRDKit::Snapshotfriend
trajectory() constRDKit::Snapshotinline