public object Visit(ASTSimpleBond node, object data)
{
System.Console.Out.WriteLine(IndentString() + node + " [" + node.BondType + "]");
++indent;
data = node.ChildrenAccept(this, data);
--indent;
return(data);
}
public object Visit(ASTSimpleBond node, object data)
{
string bond = "";
int bondType = node.BondType;
switch (bondType)
{
case SMARTSParserConstants.ANY_BOND:
bond = "~";
break;
case SMARTSParserConstants.S_BOND:
bond = "-";
break;
case SMARTSParserConstants.D_BOND:
bond = "=";
break;
case SMARTSParserConstants.T_BOND:
bond = "#";
break;
case SMARTSParserConstants.AR_BOND:
bond = ":";
break;
case SMARTSParserConstants.R_BOND:
bond = "$~1"; // TODO: only one ring is assumed here. Should handle more
break;
case SMARTSParserConstants.UP_S_BOND:
case SMARTSParserConstants.DN_S_BOND:
case SMARTSParserConstants.UP_OR_UNSPECIFIED_S_BOND:
case SMARTSParserConstants.DN_OR_UNSPECIFIED_S_BOND:
bond = "-";
break;
}
return(bond);
}
public object Visit(ASTSimpleBond node, object data)
{
SMARTSBond bond = null;
switch (node.BondType)
{
case SMARTSParserConstants.S_BOND:
bond = new Smarts.OrderQueryBond(BondOrder.Single, builder);
break;
case SMARTSParserConstants.D_BOND:
bond = new Smarts.OrderQueryBond(BondOrder.Double, builder);
doubleBonds.Add(bond);
break;
case SMARTSParserConstants.T_BOND:
bond = new Smarts.OrderQueryBond(BondOrder.Triple, builder);
break;
case SMARTSParserConstants.DOLLAR:
bond = new Smarts.OrderQueryBond(BondOrder.Quadruple, builder);
break;
case SMARTSParserConstants.ANY_BOND:
bond = new Smarts.AnyOrderQueryBond(builder);
break;
case SMARTSParserConstants.AR_BOND:
bond = new Smarts.AromaticQueryBond(builder);
break;
case SMARTSParserConstants.R_BOND:
bond = new Smarts.RingBond(builder);
break;
case SMARTSParserConstants.UP_S_BOND:
bond = new Smarts.StereoBond(builder, StereoBond.Direction.Up, false);
stereoBonds.Add(bond);
break;
case SMARTSParserConstants.DN_S_BOND:
bond = new Smarts.StereoBond(builder, StereoBond.Direction.Down, false);
stereoBonds.Add(bond);
break;
case SMARTSParserConstants.UP_OR_UNSPECIFIED_S_BOND:
bond = new Smarts.StereoBond(builder, StereoBond.Direction.Up, true);
stereoBonds.Add(bond);
break;
case SMARTSParserConstants.DN_OR_UNSPECIFIED_S_BOND:
bond = new Smarts.StereoBond(builder, StereoBond.Direction.Down, true);
stereoBonds.Add(bond);
break;
default:
Trace.TraceError("Unparsed bond: " + node.ToString());
break;
}
return(bond);
}
