rdkit.Chem.PeriodicTable moduleΒΆ

A class which stores information from the Periodic Table.

It is not possible to create a PeriodicTable object directly from Python, use GetPeriodicTable() to get the global table.

The PeriodicTable object can be queried for a variety of properties:

  • GetAtomicWeight

  • GetAtomicNumber

  • GetElementSymbol

  • GetElementName

  • GetRow

  • GetRvdw (van der Waals radius)

  • GetRCovalent (covalent radius)

  • GetDefaultValence

  • GetValenceList

  • GetNOuterElecs (number of valence electrons)

  • GetMostCommonIsotope

  • GetMostCommonIsotopeMass

  • GetRb0

  • GetAbundanceForIsotope

  • GetMassForIsotope

When it makes sense, these can be queried using either an atomic number (integer) or an atomic symbol (string)