OEDeleteEverythingExceptTheFirstLargestComponentΒΆ
bool OEDeleteEverythingExceptTheFirstLargestComponent(OEMolBase & mol)
Deletes all atoms that are not part of the largest connected component of a molecule. If two or more components of a molecule are the size of the largest component, this function keeps the first one encountered. Only heavy atoms are taken into consideration when determining the size of the components. The OEDeleteEverythingExceptTheFirstLargestComponent function returns false if the given molecule has only one connected component, otherwise it returns true.
Note
The OEDeleteEverythingExceptTheFirstLargestComponent function is identical to OETheFunctionFormerlyKnownAsStripSalts.
See also
- Example program StripSalts.cs