[Open Babel] valence vs implicit valence

[Manoj R. <rm...@en...>]

Hi all,

Is there a function member of the OBAtom class that returns the number
of bonds an atom of a particular element is *capable* of forming? For
example, C can form 4 bonds (these 4 valences could be used up in double
bonds or triple bonds but the bottom line is that 4 'connections' can be
made). Similarly, O can make 2 connections (2 single bonds or 1 double
bond).

  OBAtom::GetValence() and OBAtom::GetImplicitValence() both returned
the same result on a CH3 quasi-molecule that I created on ghemical. Both
returned 3 for C.

  The documentation says that GetValence() returns the number of
connections made whereas GetImplicitValence() returns the maximum number
of connections. Doesn't this mean that in the example I have worked
with, GetValence() shoudl return 3 but GetImplicitValence() should return 4?

Thanks
Manoj