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Fix groups in R_Addition_Multiple_Bond
Based on the name and other groups on the same level, it looks like Ct-Cd_Ct-Cs was written with the incorrect AdjList. Also changed one instance of Cd=Sd to CS, which makes it accessible.
1 parent 88620e6 commit acbe72e

1 file changed

Lines changed: 4 additions & 6 deletions

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  • input/kinetics/families/R_Addition_MultipleBond

input/kinetics/families/R_Addition_MultipleBond/groups.py

Lines changed: 4 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -13400,9 +13400,8 @@
1340013400
"""
1340113401
1 *1 Ct u0 {2,T} {3,S}
1340213402
2 *2 Ct u0 {1,T} {4,S}
13403-
3 Ct u0 {1,S} {5,T}
13403+
3 Cd u0 {1,S}
1340413404
4 Cs u0 {2,S}
13405-
5 Ct u0 {3,T}
1340613405
""",
1340713406
kinetics = None,
1340813407
)
@@ -13423,14 +13422,13 @@
1342313422

1342413423
entry(
1342513424
index = 867,
13426-
label = "Ct-C=S_Ct-Cs",
13425+
label = "Ct-CS_Ct-Cs",
1342713426
group =
1342813427
"""
1342913428
1 *1 Ct u0 {2,T} {3,S}
1343013429
2 *2 Ct u0 {1,T} {4,S}
13431-
3 Cd u0 {1,S} {5,D}
13430+
3 CS u0 {1,S}
1343213431
4 Cs u0 {2,S}
13433-
5 Sd u0 {3,D}
1343413432
""",
1343513433
kinetics = None,
1343613434
)
@@ -17657,7 +17655,7 @@
1765717655
L5: Ct-CO_Ct-Cs
1765817656
L5: Ct-Cd_Ct-Cs
1765917657
L5: Ct-Ct_Ct-Cs
17660-
L5: Ct-C=S_Ct-Cs
17658+
L5: Ct-CS_Ct-Cs
1766117659
L4: Ct-De_Ct-De
1766217660
L5: Ct-Ct_Ct-Ct
1766317661
L5: Ct-Cd_Ct-Ct

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