RDKit
Open-source cheminformatics and machine learning.
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This is the complete list of members for RDKit::Snapshot, including all inherited members.
getEnergy() const | RDKit::Snapshot | inline |
getPoint2D(unsigned int pointNum) const | RDKit::Snapshot | |
getPoint3D(unsigned int pointNum) const | RDKit::Snapshot | |
setEnergy(double energy) | RDKit::Snapshot | inline |
Snapshot(boost::shared_array< double > pos, double energy=0.0) | RDKit::Snapshot | inline |
Trajectory | RDKit::Snapshot | friend |
trajectory() const | RDKit::Snapshot | inline |