[Git][java-team/openchemlib][upstream] New upstream version 2021.1.0+dfsg

[Andrius Merkys]

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


Commits:
ba6b53da by Andrius Merkys at 2021-01-11T07:59:35-05:00
New upstream version 2021.1.0+dfsg
- - - - -


30 changed files:

- pom.xml
- src/main/java/com/actelion/research/calc/combinatorics/CombinationGenerator.java
- src/main/java/com/actelion/research/chem/Canonizer.java
- src/main/java/com/actelion/research/chem/DiversitySelector.java
- src/main/java/com/actelion/research/chem/Mutation.java
- src/main/java/com/actelion/research/chem/Mutator.java
- src/main/java/com/actelion/research/chem/coords/CoordinateInventor.java
- src/main/java/com/actelion/research/chem/descriptor/DescriptorHandlerFlexophore.java
- + src/main/java/com/actelion/research/chem/descriptor/DescriptorHandlerHashedPharmSphere.java
- + src/main/java/com/actelion/research/chem/descriptor/DescriptorHandlerPharmPath.java
- + src/main/java/com/actelion/research/chem/descriptor/FingerPrintGeneratorPharmGraph.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/ConstantsFlexophore.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/DistHistHelper.java
- + src/main/java/com/actelion/research/chem/descriptor/flexophore/IDescriptorHandlerFlexophore.java
- + src/main/java/com/actelion/research/chem/descriptor/flexophore/IPPNode.java
- + src/main/java/com/actelion/research/chem/descriptor/flexophore/ModelSolutionSimilarity.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHistViz.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNode.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNodeViz.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNodeVizTriangle.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/SlidingWindowDistHist.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/completegraphmatcher/HistogramMatchCalculator.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/completegraphmatcher/IPPNodeSimilarity.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/completegraphmatcher/ObjectiveFlexophoreHardMatchUncovered.java → src/main/java/com/actelion/research/chem/descriptor/flexophore/completegraphmatcher/ObjectiveBlurFlexophoreHardMatchUncovered.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/completegraphmatcher/PPNodeSimilarity.java
- + src/main/java/com/actelion/research/chem/descriptor/flexophore/example/MatchFlexophoreNodesMain.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/generator/ConstantsFlexophoreGenerator.java
- src/main/java/com/actelion/research/chem/descriptor/flexophore/generator/CreatorMolDistHistViz.java
- + src/main/java/com/actelion/research/chem/descriptor/pharmacophoregraph/PharmGraphGenerator.java
- src/main/java/com/actelion/research/chem/descriptor/pharmacophoretree/PharmacophoreNode.java


The diff was not included because it is too large.


View it on GitLab: https://salsa.debian.org/java-team/openchemlib/-/commit/ba6b53da47c540e21efc94183eec39576fcc7d7d

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View it on GitLab: https://salsa.debian.org/java-team/openchemlib/-/commit/ba6b53da47c540e21efc94183eec39576fcc7d7d
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