RDKit: Member List

| RDKit Open-source cheminformatics and machine learning.

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RDKit::Trajectory Member List

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

addConformersToMol(ROMol &mol, int from=-1, int to=-1) | RDKit::Trajectory |
addSnapshot(const Snapshot &s) | RDKit::Trajectory |
clear() | RDKit::Trajectory | inline
dimension() const | RDKit::Trajectory | inline
getSnapshot(unsigned int snapshotNum) const | RDKit::Trajectory |
insertSnapshot(unsigned int snapshotNum, Snapshot s) | RDKit::Trajectory |
numPoints() const | RDKit::Trajectory | inline
removeSnapshot(unsigned int snapshotNum) | RDKit::Trajectory |
size() const | RDKit::Trajectory | inline
Trajectory(unsigned int dimension, unsigned int numPoints, SnapshotVect *snapshotVect=nullptr) | RDKit::Trajectory |
Trajectory(const Trajectory &other) | RDKit::Trajectory |