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zjburasKEHANG
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Added another stained tricyclic to globally forbidden species list,
because it causes RMG to crash.
1 parent 0e789d2 commit 89b7345

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input/forbiddenStructures.py

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@@ -571,4 +571,27 @@
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For certain unsaturated versions of this strained tricyclic, RMG's Clar optimization fails, causing RMG
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to crash.
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""",
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)
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entry(
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label = "strained_tricyclic_2",
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group =
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"""
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1 R!H ux {2,[S,D,T,B]} {10,[S,D,T,B]}
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2 R!H ux {1,[S,D,T,B]} {3,[S,D,T,B]}
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3 R!H ux {2,[S,D,T,B]} {4,[S,D,T,B]} {8,[S,D,T,B]}
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4 R!H ux {3,[S,D,T,B]} {5,[S,D,T,B]}
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5 R!H ux {4,[S,D,T,B]} {6,[S,D,T,B]} {10,[S,D,T,B]}
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6 R!H ux {5,[S,D,T,B]} {7,[S,D,T,B]}
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7 R!H ux {6,[S,D,T,B]} {8,[S,D,T,B]}
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8 R!H ux {3,[S,D,T,B]} {7,[S,D,T,B]} {9,[S,D,T,B]}
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9 R!H ux {8,[S,D,T,B]} {10,[S,D,T,B]}
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10 R!H ux {1,[S,D,T,B]} {5,[S,D,T,B]} {9,[S,D,T,B]}
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""",
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shortDesc = u"""""",
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longDesc =
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u"""
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Certain unsaturated versions of this strained tricyclic cause RMG
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to crash.
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""",
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)

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