OEParseInChIΒΆ

bool OEParseInChI(OEMolBase &mol, const std::string &str)

Parses a InChI string into a molecule. The returned value indicates whether the given InChI string was parsed successfully.

mol
The constructed molecule.
str
The InChI string that is parsed into the molecule.

The input molecule instance is not cleared so these functions can be used to add components to an existing molecule.

Hint

The use of the high-level OEInChIToMol function is highly recommended over the low-level OEParseInChI function. The OEInChIToMol function not only converts an InChI string into a molecule but also perceives basic molecular properties.

See also