OEParseInChI¶
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
OEMolToSTDInChIfunctionOEMolToInChIfunctionOEInChIToMolfunctionOECreateInChIfunctionInChI section