public void Dump(string smarts)
{
SMARTSParser parser = new SMARTSParser(new StringReader(smarts));
ASTStart start = parser.Start();
SmartsDumpVisitor visitor = new SmartsDumpVisitor();
visitor.Visit(start, null);
}
public void Visit(string smarts)
{
var parser = new SMARTSParser(new StringReader(smarts));
var start = parser.Start();
var visitor = new SmartsQueryVisitor();
visitor.Visit(start, null);
}
public void Visit(string smarts)
{
SMARTSParser parser = new SMARTSParser(new StringReader(smarts));
ASTStart start = parser.Start();
SmartsQueryVisitor visitor = new SmartsQueryVisitor(ChemObjectBuilder.Instance);
visitor.Visit(start, null);
}
static void Main()
{
#region 1
SMARTSParser parser = new SMARTSParser(new StringReader("C*C"));
ASTStart ast = parser.Start();
SmartsQueryVisitor visitor = new SmartsQueryVisitor();
QueryAtomContainer query = (QueryAtomContainer)visitor.Visit(ast, null);
#endregion
}
void Main()
{
UniversalIsomorphismTester universalIsomorphismTester = null;
#region 1
SmilesParser sp = new SmilesParser();
IAtomContainer atomContainer = sp.ParseSmiles("CC(=O)OC(=O)C");
QueryAtomContainer query = SMARTSParser.Parse("C*C");
bool queryMatch = universalIsomorphismTester.IsSubgraph(atomContainer, query);
#endregion
#region 2
SMARTSParser parser = new SMARTSParser(new StringReader("C*C"));
ASTStart start = parser.Start();
#endregion
}
private void Parse(string smarts)
{
SMARTSParser parser = new SMARTSParser(new StringReader(smarts));
parser.Start();
}