This repository has been archived by the owner on Jul 10, 2024. It is now read-only.

Commits

Commits on Dec 24, 2020

Merge branch 'isotopeSymmetryFix'
caodac
committedDec 24, 2020
resolve conflicts
caodac
committedDec 24, 2020
Merge pull request #20 from ncats/dependabot/maven/junit-junit-4.13.1
caodac
committedDec 24, 2020

Commits on Dec 23, 2020

fixed typo, added test case

Peryea
authored and
Peryea
committedDec 23, 2020

Commits on Oct 13, 2020

Bump junit from 4.12 to 4.13.1
dependabot[bot]
committedOct 13, 2020

Commits on Aug 19, 2020

update readme
caodac
committedAug 19, 2020
fix pom to not include junit in jar and fix test case
caodac
committedAug 19, 2020
add jchem license and README
caodac
committedAug 19, 2020

Commits on May 2, 2019

fix canonical order again
caodac
committedMay 2, 2019
add canonical test cases
caodac
committedMay 2, 2019
rework graph invariant; hash keys for layers 2-4 will change!
caodac
committedMay 2, 2019

Commits on May 1, 2019

Merge branch 'master' of https://github.com/ncats/lychi
caodac
committedMay 1, 2019
update graph invariant traversal
caodac
committedMay 1, 2019
Merge pull request #17 from ncats/symmetryHandle
tylerperyea
committedMay 1, 2019
fixed version
tylerperyea
committedMay 1, 2019
added back in graph invarient tie-breaking fix
tylerperyea
committedMay 1, 2019

Commits on Apr 17, 2019

Merge branch 'temp' into symmetryHandle
tylerperyea
committedApr 17, 2019
added test case
tylerperyea
committedApr 17, 2019

Commits on Apr 16, 2019

removed non-symmetry fix components
tylerperyea
committedApr 16, 2019
updated version number
tylerperyea
committedApr 16, 2019
merged with other update
tylerperyea
committedApr 16, 2019

Commits on Apr 15, 2019

changed tie-breaking to be more explicitly consistent with previous mechanism
tylerperyea
committedApr 15, 2019

Commits on Apr 12, 2019

added make bash script
tylerperyea
committedApr 12, 2019
changed comment
tylerperyea
committedApr 12, 2019
updated logic for tie-breaking on graph invarient collision
tylerperyea
committedApr 12, 2019

Commits on Apr 11, 2019

added another test case
tylerperyea
committedApr 11, 2019
reverted version
tylerperyea
committedApr 11, 2019
removing extra symmetry features
tylerperyea
committedApr 11, 2019
commented out unfinished test
tylerperyea
committedApr 11, 2019
allow symmetrical isotopic structure to be consistent at layer 3
tylerperyea
committedApr 11, 2019

Commits on Feb 12, 2019

fix with some tests for issue #4 , #3 , #7 , needs evaluation
tylerperyea
committedFeb 12, 2019

Commits on Feb 8, 2019

Merge pull request #16 from ncats/mavenRefactor
caodac
committedFeb 8, 2019

Commits on Feb 7, 2019

updated readme
tylerperyea
committedFeb 7, 2019
fixed non-deterministic chirality problem, added shuffle tests
tylerperyea
committedFeb 7, 2019

Commits on Feb 6, 2019

added basic test framwork
tylerperyea
committedFeb 6, 2019