Molecule Difference Checker

Perform a difference check on any molecule compatible input columns. If the tables in the input do not match in terms of column types, names or row count then this node will fail. This node will also fail immediately it encounters molecules in the matching rows between the inputs that do not match. This node is designed to be used as part of the automated test system.

Options

Fail on First Error:
If selected and a difference is found between the molecules in port 1 and port 2 the node will immediately stop and throw an exception. This is useful for testing systems. For an actual comparison view of the content unselect this option.

Input Ports

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Datatable with the output of the node to test.
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The "golden" (i.e. correct example) datatable.

Output Ports

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Datatable with the output of the node to test with the checked molecule columns removed.
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The "golden" (i.e. correct example) datatable with the checked molecule columns removed.

Popular Predecessors

Popular Successors

Views

Differences View
Display the differences that exist between the molecules in input ports 1 and 2.

Workflows

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Links

Developers

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Installation

To use this node in KNIME, install the extension Erlwood Knime Open Source Cheminformatics from the below update site following our NodePit Product and Node Installation Guide:

v4.2

A zipped version of the software site can be downloaded here.

Plugin provider: Erlwood
Plugin version: 4.0.0.qualifier
On NodePit since: 2020-07-13
Last update: 2025-07-24
KNIME versions: From v3.6 to v4.2

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