diff --git a/input/forbiddenStructures.py b/input/forbiddenStructures.py index 5b53222788..9e9085555a 100644 --- a/input/forbiddenStructures.py +++ b/input/forbiddenStructures.py @@ -443,327 +443,3 @@ """, ) -entry( - label = "Double_Carbene_neighbor", - group = -""" -1 C u0 p1 {2,[S,D,T,B]} -2 C u0 p1 {1,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid two singlet carbene groups in the same molecule from being direct neighbors -""", -) - -entry( - label = "Double_Carbene_sep_1", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 C u0 p1 {3,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid two singlet carbene groups in the same molecule from being separated by one atom -""", -) - -entry( - label = "Double_Carbene_sep_2", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 C u0 p1 {4,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid two singlet carbene groups in the same molecule from being separated by 2 atoms -""", -) - -entry( - label = "Double_Carbene_sep_3", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 C u0 p1 {5,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid two singlet carbene groups in the same molecule from being separated by 3 atoms -""", -) - -entry( - label = "Double_Carbene_sep_4", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 C u0 p1 {6,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid two singlet carbene groups in the same molecule from being separated by 4 atoms -""", -) - -entry( - label = "Double_Carbene_sep_5", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 C u0 p1 {7,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} {7,[S,D,T,B]} -7 R!H ux {6,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid two singlet carbene groups in the same molecule from being separated by 5 atoms -""", -) - -entry( - label = "Double_Carbene_sep_6", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 C u0 p1 {8,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} {7,[S,D,T,B]} -7 R!H ux {6,[S,D,T,B]} {8,[S,D,T,B]} -8 R!H ux {7,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid two singlet carbene groups in the same molecule from being separated by 6 atoms -""", -) - -entry( - label = "Double_Carbene_sep_7", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 C u0 p1 {9,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} {7,[S,D,T,B]} -7 R!H ux {6,[S,D,T,B]} {8,[S,D,T,B]} -8 R!H ux {7,[S,D,T,B]} {9,[S,D,T,B]} -9 R!H ux {8,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid two singlet carbene groups in the same molecule from being separated by 7 atoms -""", -) - -entry( - label = "Double_Carbene_sep_8", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 C u0 p1 {10,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} {7,[S,D,T,B]} -7 R!H ux {6,[S,D,T,B]} {8,[S,D,T,B]} -8 R!H ux {7,[S,D,T,B]} {9,[S,D,T,B]} -9 R!H ux {8,[S,D,T,B]} {10,[S,D,T,B]} -10 R!H ux {9,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid two singlet carbene groups in the same molecule from being separated by 8 atoms -""", -) - -entry( - label = "Carbene_Radical_neighbor", - group = -""" -1 C u0 p1 {2,[S,D,T,B]} -2 R!H u1 {1,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid a singlet carbene and a radical group in the same molecule from being direct neighbors -""", -) - -entry( - label = "Carbene_Radical_sep_1", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 R!H u1 {3,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid a singlet carbene and a radical group in the same molecule from being separated by one atom -""", -) - -entry( - label = "Carbene_Radical_sep_2", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 R!H u1 {4,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid a singlet carbene and a radical group in the same molecule from being separated by 2 atoms -""", -) - -entry( - label = "Carbene_Radical_sep_3", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 R!H u1 {5,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid a singlet carbene and a radical group in the same molecule from being separated by 3 atoms -""", -) - -entry( - label = "Carbene_Radical_sep_4", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 R!H u1 {6,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid a singlet carbene and a radical group in the same molecule from being separated by 4 atoms -""", -) - -entry( - label = "Carbene_Radical_sep_5", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 R!H u1 {7,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} {7,[S,D,T,B]} -7 R!H ux {6,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid a singlet carbene and a radical group in the same molecule from being separated by 5 atoms -""", -) - -entry( - label = "Carbene_Radical_sep_6", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 R!H u1 {8,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} {7,[S,D,T,B]} -7 R!H ux {6,[S,D,T,B]} {8,[S,D,T,B]} -8 R!H ux {7,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid a singlet carbene and a radical group in the same molecule from being separated by 6 atoms -""", -) - -entry( - label = "Carbene_Radical_sep_7", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 R!H u1 {9,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} {7,[S,D,T,B]} -7 R!H ux {6,[S,D,T,B]} {8,[S,D,T,B]} -8 R!H ux {7,[S,D,T,B]} {9,[S,D,T,B]} -9 R!H ux {8,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid a singlet carbene and a radical group in the same molecule from being separated by 7 atoms -""", -) - -entry( - label = "Carbene_Radical_sep_8", - group = -""" -1 C u0 p1 {3,[S,D,T,B]} -2 R!H u1 {10,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} {4,[S,D,T,B]} -4 R!H ux {3,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} {7,[S,D,T,B]} -7 R!H ux {6,[S,D,T,B]} {8,[S,D,T,B]} -8 R!H ux {7,[S,D,T,B]} {9,[S,D,T,B]} -9 R!H ux {8,[S,D,T,B]} {10,[S,D,T,B]} -10 R!H ux {9,[S,D,T,B]} {2,[S,D,T,B]} -""", - shortDesc = u"""""", - longDesc = -u""" -Forbid a singlet carbene and a radical group in the same molecule from being separated by 8 atoms -""", -) -