[Git][java-team/openchemlib][upstream] New upstream version 2021.12.0+dfsg

[Andrius Merkys (@merkys)]

Andrius Merkys pushed to branch upstream at Debian Java Maintainers / openchemlib


Commits:
325ed887 by Andrius Merkys at 2021-12-09T02:57:05-05:00
New upstream version 2021.12.0+dfsg
- - - - -


30 changed files:

- + examples/MachineLearning/LimitsOfPrediction/readme.txt
- pom.xml
- src/main/java/com/actelion/research/calc/histogram/IntegerHistogram.java
- src/main/java/com/actelion/research/calc/regression/knn/KNNRegression.java
- src/main/java/com/actelion/research/chem/AbstractDepictor.java
- src/main/java/com/actelion/research/chem/AbstractDrawingObject.java
- src/main/java/com/actelion/research/chem/Depictor.java
- src/main/java/com/actelion/research/chem/Depictor2D.java
- src/main/java/com/actelion/research/chem/ExtendedDepictor.java
- src/main/java/com/actelion/research/chem/IsomericSmilesCreator.java
- src/main/java/com/actelion/research/chem/Mutator.java
- src/main/java/com/actelion/research/chem/NamedSubstituents.java
- src/main/java/com/actelion/research/chem/SVGDepictor.java
- src/main/java/com/actelion/research/chem/SmilesParser.java
- src/main/java/com/actelion/research/chem/TextDrawingObject.java
- src/main/java/com/actelion/research/chem/conf/VDWRadii.java
- src/main/java/com/actelion/research/chem/coords/CoordinateInventor.java
- src/main/java/com/actelion/research/chem/coords/InventorDefaultTemplateList.java
- src/main/java/com/actelion/research/chem/coords/InventorFragment.java
- src/main/java/com/actelion/research/chem/coords/InventorTemplate.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHistViz.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNodeViz.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/generator/CreatorMolDistHistViz.java
- src/main/java/com/actelion/research/chem/io/CompoundTableConstants.java
- src/main/java/com/actelion/research/chem/io/pdb/parser/ModelParser.java
- src/main/java/com/actelion/research/chem/io/pdb/parser/StructureAssembler.java
- src/main/java/com/actelion/research/chem/properties/complexity/ContainerBitArray.java
- src/main/java/com/actelion/research/chem/properties/fractaldimension/FractalDimensionMolecule.java
- src/main/java/com/actelion/research/chem/reaction/ReactionArrow.java
- src/main/java/com/actelion/research/gui/CompoundCollectionPane.java


The diff was not included because it is too large.


View it on GitLab: https://salsa.debian.org/java-team/openchemlib/-/commit/325ed8870c43e4bc405968b5f9ba756593a1f5c3

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View it on GitLab: https://salsa.debian.org/java-team/openchemlib/-/commit/325ed8870c43e4bc405968b5f9ba756593a1f5c3
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