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mjohnson541nyee
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Intra_R_Add_ExoTetCyclic accessibility 2
eliminated radadd_cdsingle subtree, made radadd_intra_Ct viable by removing the extra Ct to allow connection to backbone
1 parent 2a4ac7a commit 2ac15b0

1 file changed

Lines changed: 10 additions & 15 deletions

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  • input/kinetics/families/Intra_R_Add_ExoTetCyclic

input/kinetics/families/Intra_R_Add_ExoTetCyclic/groups.py

Lines changed: 10 additions & 15 deletions
Original file line numberDiff line numberDiff line change
@@ -1586,9 +1586,8 @@
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label = "radadd_intra_cdsingleH",
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group =
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"""
1589-
1 *1 Cd u1 {2,S} {3,D}
1589+
1 *1 Cd u1 {2,S}
15901590
2 H u0 {1,S}
1591-
3 Cd u0 {1,D}
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""",
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kinetics = None,
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)
@@ -1598,9 +1597,8 @@
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label = "radadd_intra_cdsingleNd",
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group =
16001599
"""
1601-
1 *1 Cd u1 {2,S} {3,D}
1600+
1 *1 Cd u1 {2,S}
16021601
2 [Cs,O] u0 {1,S}
1603-
3 Cd u0 {1,D}
16041602
""",
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kinetics = None,
16061604
)
@@ -1610,21 +1608,19 @@
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label = "radadd_intra_cdsingleDe",
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group =
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"""
1613-
1 *1 Cd u1 {2,S} {3,D}
1611+
1 *1 Cd u1 {2,S}
16141612
2 [Cd,Ct,Cb,CO] u0 {1,S}
1615-
3 Cd u0 {1,D}
16161613
""",
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kinetics = None,
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)
16191616

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entry(
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index = 240,
1622-
label = "radadd_intra_cdsingle_C",
1619+
label = "radadd_intra_cddouble",
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group =
16241621
"""
1625-
1 *1 Cd u1 {2,D} {3,S}
1622+
1 *1 Cd u1 {2,D}
16261623
2 Cd u0 {1,D}
1627-
3 R u0 {1,S}
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""",
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kinetics = None,
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)
@@ -1645,8 +1641,7 @@
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label = "radadd_intra_Ct",
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group =
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"""
1648-
1 *1 Ct u1 {2,T}
1649-
2 Ct u0 {1,T}
1644+
1 *1 Ct u1
16501645
""",
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kinetics = None,
16521647
)
@@ -1764,10 +1759,10 @@
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L2: radadd_intra_O
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L2: radadd_intra_Cb
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L2: radadd_intra_cdsingle
1767-
L3: radadd_intra_cdsingle_C
1768-
L4: radadd_intra_cdsingleH
1769-
L4: radadd_intra_cdsingleNd
1770-
L4: radadd_intra_cdsingleDe
1762+
L3: radadd_intra_cdsingleH
1763+
L3: radadd_intra_cdsingleNd
1764+
L3: radadd_intra_cdsingleDe
1765+
L2: radadd_intra_cddouble
17711766
L2: radadd_intra_CO
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L2: radadd_intra_Ct
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"""

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