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Remove a few groups from intra_substitutionS_isomerization
A couple groups which are overspecified escaped notice in the last round of tree reformatting. The new more rigorous test for nitrogen charge caught these.
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  • input/kinetics/families/intra_substitutionS_isomerization

input/kinetics/families/intra_substitutionS_isomerization/groups.py

Lines changed: 0 additions & 42 deletions
Original file line numberDiff line numberDiff line change
@@ -1067,45 +1067,6 @@
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kinetics = None,
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)
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1070-
entry(
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index = 190,
1072-
label = "S-Ss(H)Ss",
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group =
1074-
"""
1075-
1 *1 Ss u0 {2,S} {3,S}
1076-
2 *2 Ss u0 {1,S}
1077-
3 Ss u0 {1,S} {4,S}
1078-
4 H u0 {3,S}
1079-
""",
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kinetics = None,
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)
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entry(
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index = 191,
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label = "S-Ss(Cs)Ss",
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group =
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"""
1088-
1 *1 Ss u0 {2,S} {3,S}
1089-
2 *2 Ss u0 {1,S}
1090-
3 Ss u0 {1,S} {4,S}
1091-
4 Cs u0 {3,S}
1092-
""",
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kinetics = None,
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)
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entry(
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index = 192,
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label = "S-Ss(Ss)Ss",
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group =
1100-
"""
1101-
1 *1 Ss u0 {2,S} {3,S}
1102-
2 Ss u0 {1,S}
1103-
3 *2 Ss u0 {1,S} {4,S}
1104-
4 Ss u0 {3,S}
1105-
""",
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kinetics = None,
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)
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tree(
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"""
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L1: XSYJ
@@ -1191,9 +1152,6 @@
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L4: S-Ss(Ss)C
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L2: S-HSs
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L2: S-SsSs
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L3: S-Ss(Cs)Ss
1195-
L3: S-Ss(Ss)Ss
1196-
L3: S-Ss(H)Ss
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"""
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)
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