//functions for making openbabel easier to work with, adding functionality that isn't in the api(also adding functionality that is in the regular api, but isn't in the C# api), and functions that make debugging less of a pain
//this is in a partial class for now, but it would be pretty useful as a library
#region functions for converting double arrays to their openbabel counterparts and vice versa
public static double[] obvec2dubs(OBVector3 a)
{
//turns a horrible obvector into a very nice double array
double[] b = { a.GetX(), a.GetY(), a.GetZ() };
return(b);
}
public static double atomdist(OBAtom a0, OBAtom a1)
{
OBVector3 disp = OBVector3.Sub(a0.GetVector(), a1.GetVector());
double x = disp.GetX();
double y = disp.GetY();
double z = disp.GetZ();
double dist = Math.Sqrt(x * x + y * y + z * z);
return(dist);
}
