RDKit
Open-source cheminformatics and machine learning.
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This is the complete list of members for RDKit::SmilesWriter, including all inherited members.
close() override | RDKit::SmilesWriter | inlinevirtual |
flush() override | RDKit::SmilesWriter | inlinevirtual |
numMols() const override | RDKit::SmilesWriter | inlinevirtual |
setProps(const STR_VECT &propNames) override | RDKit::SmilesWriter | virtual |
SmilesWriter(const std::string &fileName, const std::string &delimiter=" ", const std::string &nameHeader="Name", bool includeHeader=true, bool isomericSmiles=true, bool kekuleSmiles=false) | RDKit::SmilesWriter | |
SmilesWriter(std::ostream *outStream, std::string delimiter=" ", std::string nameHeader="Name", bool includeHeader=true, bool takeOwnership=false, bool isomericSmiles=true, bool kekuleSmiles=false) | RDKit::SmilesWriter | |
write(const ROMol &mol, int confId=defaultConfId) override | RDKit::SmilesWriter | virtual |
~MolWriter() | RDKit::MolWriter | inlinevirtual |
~SmilesWriter() override | RDKit::SmilesWriter |