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From: Manoj R. <rm...@en...> - 2004-04-13 15:41:32
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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 |