Comments (2)
I agree on the molecule.cpp
not showing up being surprising... I cropped the list at 10 items, so it might have shown up at position 11 ;)
"Bug zones" was a Freudian slip on my side - it's called 'hot zones' in the book, hehe!
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Very cool analytics! I like the term bug zones, it seems like a useful way to describe some of the more difficult parts of the app.
There is still a lot of buggy code unfortunately in the SMILES parser, and that would affect some of the files in the list. The atom and point files have had new functions added and I think a few bugs fixed. Probably similar for constants.h but instead of functions it would just be new constants. At this point I'm pretty confident in podock.cpp and intera.cpp, so while they may yet receive more changes, the core functionality appears to be sound.
Surprising that molecule.cpp did not make the list actually.
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Related Issues (20)
- Break molecular interaction test out to separate entry in unit_test_express.
- TAAR test is failing in stable branch.
- Create internal contacts activation .cpp for TAARs.
- Add additional executables to running process check.
- Move all test data to the testdata folder.
- Group test arabinose fails in stable branch on some systems. HOT 2
- Cinnamaldehyde grouping is producing a strange result.
- Possible mechanism for OR51E2 activation by ionones. HOT 1
- Are the predictions just a random number generator? HOT 4
- Incorrect rotatable bonds in complex cyclic compounds.
- Increase memory robustness. HOT 4
- Possible mechanism for OR1A1 activation.
- Amino test is failing in stable branch. HOT 3
- Model PDBs do not match dock file contents.
- Ligand still pulling away from binding residues.
- Small performance opportunity in new Conjugation class.
- New Prediction Method for OR52 Receptors HOT 2
- Side chain clashes in docks. HOT 2
- Read all constants from a configuration file.
- Bond object reciprocity.
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