Clarify some groups in statmech to avoid sibling bug

It looks like some of these groups were added before we had enabled lone pairs in the Adjlist. As such they tried to incorperate both triplet/singlet and doublet/quartet in the one node. However, this made the tree fail the sibling child/parent check. For now, I have removed the possibility for singlet bi-rads and doublet tri-rads.

Additionally the Nitrites group was just written incorrectly from the start. I have added one extra atom to the Adjlist after consulting with alongd

Author: nyee

input/statmech/groups/groups.py

@@ -9,7 +9,7 @@
 entry(
     index = -1,
     label = "R!H",
-    group = "OR{R!Hx0, R!Hx1, R!Hx2, R!Hx3}",
+    group = "OR{R!Hx0, R!Hx1, R!Hx2_trip, R!Hx3_quart}",
     statmech = None,
     shortDesc = u"""""",
     longDesc = 
@@ -901,7 +901,8 @@
 """
 1 * N u0 {2,D} {3,S}
 2   O u0 {1,D}
-3   O u0 {1,S}
+3   O u0 {1,S} {4,S}
+4   R u0 {3,S}
 """,
     statmech = GroupFrequencies(
         frequencies = [
@@ -1244,10 +1245,10 @@
 
 entry(
     index = -1,
-    label = "R!Hx2",
+    label = "R!Hx2_trip",
     group = 
 """
-1 * R!H u[0,2]
+1 * R!H u2
 """,
     statmech = None,
     shortDesc = u"""""",
@@ -1329,10 +1330,10 @@
 
 entry(
     index = -1,
-    label = "R!Hx3",
+    label = "R!Hx3_quart",
     group = 
 """
-1 * R!H u[1,3]
+1 * R!H u3
 """,
     statmech = None,
     shortDesc = u"""""",
@@ -1391,12 +1392,12 @@
             L4: RsCrsR2
         L3: O_R1
             L4: Oxy
-    L2: R!Hx2
+    L2: R!Hx2_trip
         L3: C_R2
             L4: RsCHrr
             L4: RdCrr
             L4: RsCrrsR
-    L2: R!Hx3
+    L2: R!Hx3_quart
 """
 )