Some invalid smarts

johnmay · johnmay · commit f7602656cba2 · 2019-06-24T13:13:37.000+01:00
diff --git a/tool/smarts/src/main/java/org/openscience/cdk/smarts/Smarts.java b/tool/smarts/src/main/java/org/openscience/cdk/smarts/Smarts.java
@@ -1573,7 +1573,8 @@ else if (sub2 != null)
         // final check
         boolean finish() {
             // check for unclosed rings, components, and branches
-            if (numRingOpens != 0 || curComponentId != 0 || !stack.isEmpty()) {
+            if (numRingOpens != 0 || curComponentId != 0 ||
+                !stack.isEmpty() || bond != null) {
                 error = "Unclosed ring, component group, or branch";
                 return false;
             }
@@ -1805,6 +1806,8 @@ public boolean parse() {
                     case '!':
                     case '/':
                     case '\\':
+                        if (prev == null)
+                            return false;
                         unget();
                         if (!parseBondExpr())
                             return false;
diff --git a/tool/smarts/src/test/java/org/openscience/cdk/smarts/ParserTest.java b/tool/smarts/src/test/java/org/openscience/cdk/smarts/ParserTest.java
@@ -22,6 +22,7 @@
 import org.junit.Test;
 import org.openscience.cdk.CDKTestCase;
 import org.openscience.cdk.interfaces.IChemObjectBuilder;
+import org.openscience.cdk.isomorphism.matchers.Expr;
 import org.openscience.cdk.silent.SilentChemObjectBuilder;
 import org.openscience.cdk.smarts.Smarts;
 
@@ -36,10 +37,16 @@
  */
 public class ParserTest extends CDKTestCase {
 
+    private static final class InvalidSmarts extends Exception {
+        public InvalidSmarts(String message) {
+            super(message);
+        }
+    }
+
     private void parse(String smarts, int flav) throws Exception {
         IChemObjectBuilder builder = SilentChemObjectBuilder.getInstance();
         if (!Smarts.parse(builder.newAtomContainer(), smarts, flav))
-            throw new Exception(Smarts.getLastErrorMesg());
+            throw new InvalidSmarts(Smarts.getLastErrorMesg());
     }
 
     private void parse(String smarts) throws Exception {
@@ -1505,4 +1512,14 @@ public void atomMaps2() throws Exception {
         parse("O=C1NCCSc2ccccc12");
     }
 
+    @Test(expected = InvalidSmarts.class)
+    public void testBondPrefix() throws Exception {
+        parse("-CCO");
+    }
+
+    @Test(expected = InvalidSmarts.class)
+    public void trailingBond() throws Exception {
+        parse("CCO-");
+    }
+
 }
