Comments (12)
Have unsubscribed from all nodes3knime related updates now :-). So feel free to use this is a todo list
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not an "issue"... this is a ToDo
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Are there any updates on this?
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No :(
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I have recently looked into updating JChemPaint to CDK 2.1 and 2.0, but there are regressions. See JChemPaint/jchempaint#191
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Is JChemPaint the blocker and if so is this still the case?
Could we rebrand the existing nodes legacy nodes and create a new plugin based on CDK 2.x?
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@webbres, that's exactly what Daria and I were discussing yesterday.
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👍 happy to contribute to that effort if it's done
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I've forked a repo for this: https://github.com/cdk/nodes4knime-cdk2
But the wifi here is too slow to set up the KNIME SDK
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Why did you fork it Egon? The API should be compatible enough that it didn't need a fork. Any changes are likely unspecified invariants being missed by the callee.
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I think the main issue is JChemPaint and Ambit don't work with CDK 2, so upgrading loses that functionality which breaks backwards compatibility with existing workflows.
You can't deprecate the nodes as they don't work anymore.
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Why did you fork it Egon? The API should be compatible enough that it didn't need a fork. Any changes are likely unspecified invariants being missed by the callee.
Think of it as the migration path from Python2 to Python3: there were so many dependencies, many tools could not easily migrate to Python3. Similarly, there is functonality in the CDK-1.5-based KNIME nodes that are not easily migrated.
The idea of the fork is to have both world in parallel, allowing people to use CDK-2.x-based KNIME nodes whenever possible, but at the same time being able to install the CDK-1.5-based KNIME nodes when needed.
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Related Issues (13)
- port nodes4knime from SVN to Git and then extract the CDK nodes HOT 2
- Depiction node requires a column for atom highlights
- CDK Substructure Search: null pointer exception with flow variable HOT 1
- CAS input doesn't work in Structure Sketcher node
- review current code base HOT 9
- KNIME 4.6 node build fails dependency checker HOT 4
- substructure node cannot deal with explicit hydrogens HOT 1
- add documentation on how to set up a development environment
- regression in testflows.trunk.cDK.cdkTestConnectivity HOT 3
- write up instructions to set up a developers environment HOT 1
- KNIME 3.6 build tests failing HOT 1
- Plugin not compatible with KNIME 4.0 HOT 5
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