I always got more of the impression that Gracie is autistic, not psychopathic.
She's either psychopathic or sociopathic. I used to know the difference but the two have blurred together in my head over the years and I'm just too lazy to refresh my own memory on the subject.
There's been tons of hints...her extremely high intelligence, but black-and-white view of morality. Indicative of someone who has no intuitive/instinctive grasp of moral behavior. To her actions are moral because she has read a book that tells her they are or are not. Or because the people in her inner circle have told her that they are or are not.
Her ability to almost flawlessly predict what other people will do but have her entire plan nuked by her inability to understand an irrational reaction. She can predict what people will do intellectually. And she has enough academic understanding of psychology to even predict their emotions and what the appropriate (according to the textbooks) emotional response will be. Right up until those emotional responses result in an action that the books failed to predict, but a person with empathy could have easily anticipated.
The way she can flip on a dime from treating Isabelle with cold blooded apathy to treating her like a long lost sister...and pull a comparable emotional U-turn on the MC minutes later, from having treated him very favorably right up until the moment she realized he'd outmaneuvered her somehow...taken her control and power. And just like that she immediately directed that cold-blooded apathy straight at him. Yeah she plays it off seconds later like it was just a joke. And if you believe that, I have an excellent investment opportunity I would like you to seriously consider. A bridge in San Fransisco...
Cordia's fear(Or at least wariness) of what Gracie would become if allowed to be part of the family business(and Uncle's giddy anticipation of the same)
Gracie has no natural moral compass or ability to empathize with others. She performs the actions that she has been taught are moral, because she's seen the pros and cons associated with such actions and weighs them accordingly. She values the people who make her feel good/safe/valued and devalues the people who make her feel otherwise.
At least that's my take on Gracie thus far. This upcoming Gracie-heavy update will prove me right or wrong, I suppose.