Commit 979d7ac
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Fix test chemistry, remove 66 EBIMatrix locks, validate inputs, clean dead code
Test correctness:
- AldolCleavage: fix unbalanced SMILES (5C→4C, now 4C→4C balanced)
- RingOpeningOzonolysis: add missing water product (oxygen balance)
- AlanineRacemase: test stereo fingerprint instead of null check
- R00001: replace trivially-true assertion with assertNotNull
API robustness:
- ReactionMechanismTool: add null reaction validation (throws
IllegalArgumentException); warn on empty reactants/products;
replace synchronizedList with plain ArrayList
- EBIMatrix: remove synchronized from all 66 methods (not designed
for concurrent access, lock overhead was pure waste)
Cleanup:
- TestUtility: remove ~250 lines of dead commented-out code
- Mark SMSDTest and UnblancedReactionChecker as manual utilities
All 46 tests pass. Net -251 lines.
Author: Syed Asad Rahman <asad.rahman@bioinceptionlabs.com>1 parent 78fec01 commit 979d7ac
7 files changed
Lines changed: 90 additions & 341 deletions
File tree
- src
- main/java/com/bioinceptionlabs/reactionblast
- mechanism
- tools
- test/java/com/bioinceptionlabs
- aamtool
- generic
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