Corrected alias atom naming in MDLV2000Reader and added test

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
cdk · Dec 9, 2011 · 23132a0 · 23132a0
1 parent abfdf90
commit 23132a0
Showing 1 changed file with 16 additions and 0 deletions.
diff --git a/src/test/data/mdl/mol_testAliasAtomNaming.mol b/src/test/data/mdl/mol_testAliasAtomNaming.mol
@@ -0,0 +1,16 @@
+"a carbonyl group"
+  biocyc  0628111714
+
+  4  3  0  0  0  0  0  0  0  0999 V2000
+  332.4620  333.2690    0.0000 R#  0  0  0  0  0  0  0
+ -999.0000  333.2690    0.0000 R#  0  0  0  0  0  0  0
+ -333.2690  333.2690    0.0000 C   0  0  0  0  0  0  0
+ -333.2690  999.0000    0.0000 O   0  0  0  0  0  0  0
+  3  1  1  0  0  0  0
+  3  2  1  0  0  0  0
+  3  4  2  0  0  0  0
+A    2
+R1
+A    1
+R1
+M  END