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

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

AtomMonomerInfo()RDKit::AtomMonomerInfoinline
AtomMonomerInfo(AtomMonomerType typ, const std::string &nm="")RDKit::AtomMonomerInfoinline
AtomMonomerInfo(const AtomMonomerInfo &other)RDKit::AtomMonomerInfoinline
AtomMonomerType enum nameRDKit::AtomMonomerInfo
AtomPDBResidueInfo()RDKit::AtomPDBResidueInfoinline
AtomPDBResidueInfo(const AtomPDBResidueInfo &other)RDKit::AtomPDBResidueInfoinline
AtomPDBResidueInfo(std::string atomName, int serialNumber=0, std::string altLoc="", std::string residueName="", int residueNumber=0, std::string chainId="", std::string insertionCode="", double occupancy=1.0, double tempFactor=0.0, bool isHeteroAtom=false, unsigned int secondaryStructure=0, unsigned int segmentNumber=0)RDKit::AtomPDBResidueInfoinline
copy() const RDKit::AtomPDBResidueInfoinlinevirtual
getAltLoc() const RDKit::AtomPDBResidueInfoinline
getChainId() const RDKit::AtomPDBResidueInfoinline
getInsertionCode() const RDKit::AtomPDBResidueInfoinline
getIsHeteroAtom() const RDKit::AtomPDBResidueInfoinline
getMonomerType() const RDKit::AtomMonomerInfoinline
getName() const RDKit::AtomMonomerInfoinline
getOccupancy() const RDKit::AtomPDBResidueInfoinline
getResidueName() const RDKit::AtomPDBResidueInfoinline
getResidueNumber() const RDKit::AtomPDBResidueInfoinline
getSecondaryStructure() const RDKit::AtomPDBResidueInfoinline
getSegmentNumber() const RDKit::AtomPDBResidueInfoinline
getSerialNumber() const RDKit::AtomPDBResidueInfoinline
getTempFactor() const RDKit::AtomPDBResidueInfoinline
OTHER enum valueRDKit::AtomMonomerInfo
PDBRESIDUE enum valueRDKit::AtomMonomerInfo
setAltLoc(const std::string &val)RDKit::AtomPDBResidueInfoinline
setChainId(const std::string &val)RDKit::AtomPDBResidueInfoinline
setInsertionCode(const std::string &val)RDKit::AtomPDBResidueInfoinline
setIsHeteroAtom(bool val)RDKit::AtomPDBResidueInfoinline
setMonomerType(AtomMonomerType typ)RDKit::AtomMonomerInfoinline
setName(const std::string &nm)RDKit::AtomMonomerInfoinline
setOccupancy(double val)RDKit::AtomPDBResidueInfoinline
setResidueName(const std::string &val)RDKit::AtomPDBResidueInfoinline
setResidueNumber(int val)RDKit::AtomPDBResidueInfoinline
setSecondaryStructure(unsigned int val)RDKit::AtomPDBResidueInfoinline
setSegmentNumber(unsigned int val)RDKit::AtomPDBResidueInfoinline
setSerialNumber(int val)RDKit::AtomPDBResidueInfoinline
setTempFactor(double val)RDKit::AtomPDBResidueInfoinline
UNKNOWN enum valueRDKit::AtomMonomerInfo
~AtomMonomerInfo()RDKit::AtomMonomerInfoinlinevirtual