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

This is the complete list of members for RDMIF::HBond, including all inherited members.

getNumInteractions() constRDMIF::HBondinline
HBond()RDMIF::HBondinline
HBond(const RDKit::ROMol &mol, int confId=-1, const std::string &probeAtomType="OH", bool fixed=true, double cutoff=1.0)RDMIF::HBond
operator()(double x, double y, double z, double thres) constRDMIF::HBond
~HBond()=defaultRDMIF::HBond