rajarshi/cdkr — Issue #8: More robust iload.molecules() in case of NoSuchAtomTypeException
Author: sneumann
Created: 2012-02-22 15:38:56+00:00
State: open

Hi,

another problem occurs for other exceptions:

Error in .jcall(.jnew("org/openscience/cdk/ChemObject"), "Lorg/openscience/cdk/interfaces/IChemObjectBuilder;", :
org.openscience.cdk.exception.NoSuchAtomTypeException: The AtomType Se.2 could not be found

Can these be caught with rJava ? And an option added to iload.molecules()
to just jump over them, because we can't do anything with them anyway ?

Yours,
Steffen