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Dr. Arthur Cavor from the BBC's 2010 TV movie version of "H.G.Wells The First Men in the Moon" (I've not read the book so I can't say how accurate his character is in comparison).
In the film, he had a specific routine which involved him going down a particular road outside a house (later resided in by Julius Bedford) and walking back and forth - watching the sunset while his mind was brimming with ideas; with a side effect of this been that he make a variety of humming/buzzing noises (similar to a stim).
This is best shown when Julius Bedford brings the noises Cavor makes to his attention (with Cavor not even realizing he was doing it) and telling him to stop it, with Cavor agreeing but later confronting Bedford as the disruption in his routine has affected him and made it near-impossible for him to work.
On top of this, he's a very clever man - coming up with a material that can resist the effects of gravity that he later names "Cavorite" - and when set on an idea remains very focused on it, yet he is socially withdrawn to the point where Bedford points out that if aliens landed on Earth he would be the last to hear about it.
I'd recommend you give it a watch if you get chance:
Binge watching the cancelled 2002 series "Firefly" makes me wonder at times about Malcolm "Mal" Reynolds.
Me being obsessed with British books/tv (mini) series, I throw in:
Mr Darcy (socially awkward, perfectionist etc - though there might be other things as well)
DCI Vera Stanhope from the series Vera (though with a big question mark. There are many other issues around her, and yet - could be?)
hmmmmm... not sure, less so in the books but maybe the tv series? Thought she was more the odd, non-conforming person who has unresolved issues and been single too long... more trauma-y than asd-y (the whole story with her father....) but yeah, I can see what you mean.