added H+ and e to translator

ReactionMechanismGenerator · Jan 22, 2021 · 050e5f8 · 050e5f8
1 parent 2176693
commit 050e5f8
Showing 1 changed file with 8 additions and 0 deletions.
diff --git a/rmgpy/molecule/translator.py b/rmgpy/molecule/translator.py
@@ -91,6 +91,11 @@
         multiplicity 1
         1 e u0 p0 c-1
         """,
+    '[H+]':
+        """
+        multiplicity 1
+        1 H u0 p0 c+1
+        """,
 }
 
 #: This dictionary is used to shortcut lookups of a molecule's SMILES string from its chemical formula.
@@ -115,6 +120,8 @@
     'ClH': 'Cl',
     'I2': '[I][I]',
     'HI': 'I',
+    'H': 'H+',
+    'e': 'e'
 }
 
 RADICAL_LOOKUPS = {
@@ -138,6 +145,7 @@
     'NO': '[N]=O',
     'Cl': '[Cl]',
     'I': '[I]',
+    'e': 'e'
 }