I was able to complete the .NET coding for a SMARTS pattern search within an
input SMILES, and am wondering if the loop to check for SMARTS hits (below) in
each vector element of maplist should start at 0 or 1?
As an example, when using Thiophene's SMILES Cc1ccsc1 and the SMARTS pattern
[sx2r5], there should be one hit, which does occur when i=1. However, I am not
sure if the loop need to start at i=0, so is each VectorInt inside a
VectorVecInt zero-based?
Dim OBConv As New OBConversion()
OBConv.SetInFormat("smi")
Dim Mol As New OBMol()
OBConv.ReadString(Mol, "c1ccsc1")
Dim sp As New OBSmartsPattern
Dim bool As Boolean = sp.Init("[sx2r5]")
bool =sp.Match(Mol)
Dim maplist As New VectorVecInt
Dim vlist As VectorInt
Dim i As Integer
maplist = sp.GetMapList()
For Each vlist In maplist
For i = 1 To vlist.Count
MsgBox(i.ToString)
Next
Next
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