Commit 76407af
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Add 'boundaryAtom' attribute to all unimolecular families
This attribute states the most inward atom labels that overlaps between the end groups and backbones. It is useful for helping to separate the backbone from the end group for unit-testing.1 parent b5d3234 commit 76407af
20 files changed
Lines changed: 2399 additions & 0 deletions
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- input/kinetics/families
- 1,2_shiftS
- Birad_recombination
- Cyclic_Ether_Formation
- Intra_Disproportionation
- Intra_RH_Add_Endocyclic
- Intra_RH_Add_Exocyclic
- Intra_R_Add_Endocyclic
- Intra_R_Add_ExoTetCyclic
- Intra_R_Add_Exocyclic
- intra_H_migration
- intra_OH_migration
- intra_substitutionCS_cyclization
- intra_substitutionCS_isomerization
- intra_substitutionS_cyclization
- intra_substitutionS_isomerization
- ketoenol
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