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KEHANGconnie
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get rid of the benezene forbidden group in addition family
1 parent eeb8c98 commit f83ca4e

1 file changed

Lines changed: 17 additions & 17 deletions

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  • input/kinetics/families/R_Addition_MultipleBond

input/kinetics/families/R_Addition_MultipleBond/groups.py

Lines changed: 17 additions & 17 deletions
Original file line numberDiff line numberDiff line change
@@ -17984,21 +17984,21 @@
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""",
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)
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forbidden(
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label = "benzene_doublebond",
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group =
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"""
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1 *1 Cd u0 {2,D} {6,S}
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2 *2 Cd u0 {1,D} {3,S}
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3 Cd ux {2,S} {4,D}
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4 Cd ux {3,D} {5,S}
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5 Cd ux {4,S} {6,D}
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6 Cd ux {5,D} {1,S}
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""",
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shortDesc = u"""""",
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longDesc =
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u"""
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""",
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)
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# forbidden(
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# label = "benzene_doublebond",
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# group =
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# """
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# 1 *1 Cd u0 {2,D} {6,S}
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# 2 *2 Cd u0 {1,D} {3,S}
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# 3 Cd ux {2,S} {4,D}
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# 4 Cd ux {3,D} {5,S}
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# 5 Cd ux {4,S} {6,D}
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# 6 Cd ux {5,D} {1,S}
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# """,
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# shortDesc = u"""""",
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# longDesc =
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# u"""
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# """,
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# )
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