RDKit
Open-source cheminformatics and machine learning.
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::Trajectoryinline
dimension() const RDKit::Trajectoryinline
getSnapshot(unsigned int snapshotNum) const RDKit::Trajectory
insertSnapshot(unsigned int snapshotNum, Snapshot s)RDKit::Trajectory
numPoints() const RDKit::Trajectoryinline
removeSnapshot(unsigned int snapshotNum)RDKit::Trajectory
size() const RDKit::Trajectoryinline
Trajectory(unsigned int dimension, unsigned int numPoints, SnapshotVect *snapshotVect=NULL)RDKit::Trajectory
Trajectory(const Trajectory &other)RDKit::Trajectory