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Trying to understand the RDKit Aromatizer node and the comparison to 0 to determine success #108
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@TraceLD : the C++ setAromaticity() call which is being used by the KNIME node (the KNIME node actually uses the Java wrapper around this call) is this one: |
I see, why does it then seemingly get wrapped in Python into a function that returns None? https://www.rdkit.org/docs/source/rdkit.Chem.rdmolops.html#rdkit.Chem.rdmolops.SetAromaticity |
The Python wrappers and Java wrappers are created with different technologies and don't have a one-to-one mapping |
I suppose what I'm asking then is if there's a way to determine if |
I'm trying to understand an existing RDKit-based KNIME workflow and having used RDKit in Python previously I can't understand the RDKit Aromatizer node. It calls
.setAromaticity(temp)
wheretemp
is a RDKit molecule and then compares the result to0
to determine success but what is happening here?SetAromaticity
in the C++ API which the Java KNIME is wrapping returnsvoid
and in Python it returnsNone
. What does the comparison to0
do here?Line I'm referencing:
knime-rdkit/org.rdkit.knime.nodes/src/org/rdkit/knime/nodes/aromatize/RDKitAromatizeNodeModel.java
Line 242 in d760417
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