public void TestMatches()
{
IBond testBond = null;
var matcher = new AnyOrderQueryBond();
Assert.IsFalse(matcher.Matches(testBond));
}
public void TestMatches()
{
IBond testBond = null;
AnyOrderQueryBond matcher = new AnyOrderQueryBond(new Mock <IChemObjectBuilder>().Object);
Assert.IsFalse(matcher.Matches(testBond));
}
public void TestAnyOrder()
{
var matcher = new AnyOrderQueryBond();
var testBond = Silent.ChemObjectBuilder.Instance.NewBond();
foreach (var order in BondOrderTools.Values)
{
testBond.Order = order;
Assert.IsTrue(matcher.Matches(testBond));
}
}
public void TestAnyOrder()
{
AnyOrderQueryBond matcher = new AnyOrderQueryBond(new Mock <IChemObjectBuilder>().Object);
IBond testBond = new Bond();
foreach (var order in BondOrderTools.Values)
{
testBond.Order = order;
Assert.IsTrue(matcher.Matches(testBond));
}
}
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);
}
