public static string getElemComp(string tableElemComp, int indexX, int indexY, int indexZ)
{
string ElemCompOut;
ElemCompOut = tableElemComp.Replace("x", indexX.ToString());
ElemCompOut = ElemCompOut.Replace("y", indexY.ToString());
return(ElemCompOut);
}
public static string getElemCompFA(string tableElemComp, int indexX, int indexY, int indexZ)
{
string ElemCompOut;
int faHydrogens = (indexX - indexY) * 2;
ElemCompOut = tableElemComp.Replace("(x-y)*2", faHydrogens.ToString());
ElemCompOut = ElemCompOut.Replace("x", indexX.ToString());
ElemCompOut = ElemCompOut.Replace("y", indexY.ToString());
ElemCompOut = ElemCompOut.Replace("z", indexZ.ToString());
ElemCompOut = ElemCompOut.Replace(" + ", "");
ElemCompOut = ElemCompOut.Replace("*", "");
return(ElemCompOut.ToUpper());
}
