Commit 840241a
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Merge 17 files: SMSD filters/matchers, matrix decompositions (128→111 files)
- SMSD filters (7→1): BaseFilter, EnergyFilter, FragmentFilter, StereoFilter,
IChemicalFilter, Sotter merged into ChemicalFilters.java
- SMSD matchers (3→1): AtomMatcher, BondMatcher merged into AtomBondMatcher.java
- SMSD small files (4→0): Algorithm, IAtomMapping, BondEnergy, Utility
merged into BaseMapping, ChemicalFilters, BondEnergies, ExtAtomContainerManipulator
- Matrix (5→0): all decompositions merged into EBIMatrix.java
Co-Authored-By: Syed Asad Rahman <asad.rahman@bioinceptionlabs.com>1 parent 9c0d0a1 commit 840241a
59 files changed
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File tree
- src
- main/java
- com/bioinceptionlabs/reactionblast
- fingerprints
- mapping
- algorithm
- mechanism
- signature
- tools
- org/openscience/smsd
- test/java/com/bioinceptionlabs
- aamtool
- generic
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