Don't set mass if < 0 (-1 is now used as a sentinel value for unstabl…

…e definitions)
cdk · Aug 26, 2017 · 11473ec · 11473ec
1 parent eb22423
commit 11473ec
Showing 1 changed file with 5 additions and 2 deletions.
diff --git a/storage/ctab/src/main/java/org/openscience/cdk/io/MDLV2000Reader.java b/storage/ctab/src/main/java/org/openscience/cdk/io/MDLV2000Reader.java
@@ -906,8 +906,11 @@ void readPropertiesFast(final BufferedReader input, final IAtomContainer contain
                     for (int i = 0, st = 10; i < count && st + 7 <= length; i++, st += 8) {
                         index = readMolfileInt(line, st) - 1;
                         int mass = readMolfileInt(line, st + 4);
-                        container.getAtom(offset + index).setMassNumber(mass);
-                    }
+                        if (mass < 0)
+                            handleError("Absolute mass number should be >= 0, " + line);
+                        else
+                            container.getAtom(offset + index).setMassNumber(mass);
+                      }
                     break;
 
                 // M  RADnn8 aaa vvv ...