OEGetHalideFraction

double OEGetHalideFraction(const OEChem::OEMolBase &mol, bool isotopic = false)

Returns the percent of molecular weight from halides.

isotopic

This parameter determines whether the isotopic information is taken into account when calculating the molecule weight.

See also

• OECalculateMolecularWeight function in the OEChem TK manual

• Halide Fraction subsection describing filter files