Revert forbidden groups for molecules with two carbenes

This reverts commit 2e18d62.
The additional forbidden groups were found to increase the time for
forbidden structure checking by an order of magnitude.
Instead, the carbenes will now be limited via species constraints.

Author: mliu49

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
-""",
-)
-