Fix test - not longer information loss.

johnmay · johnmay · commit 0dbc981c859f · 2021-01-18T08:17:18.000Z
diff --git a/storage/ctab/src/test/java/org/openscience/cdk/io/MDLV2000WriterTest.java b/storage/ctab/src/test/java/org/openscience/cdk/io/MDLV2000WriterTest.java
@@ -622,8 +622,6 @@ public void testSingleDoubletRadical() throws Exception {
 
     }
 
-    // XXX: information loss, CDK does not distinquish between divalence
-    //      singlet and triplet and only stores the unpaired electrons
     @Test
     public void testSingleTripletRadical() throws Exception {
 
@@ -641,7 +639,7 @@ public void testSingleTripletRadical() throws Exception {
         String[] lines = sw.toString().split("\n");
 
         assertThat("incorrect file length", lines.length, is(9));
-        assertThat("incorrect radical output", lines[7], is("M  RAD  1   2   1"));
+        assertThat("incorrect radical output", lines[7], is("M  RAD  1   2   3"));
     }
 
     @Test

Original file line number	Diff line number	Diff line change
`@@ -622,8 +622,6 @@ public void testSingleDoubletRadical() throws Exception {`
`622`	`622`
`623`	`623`	`}`
`624`	`624`
`625`		`- // XXX: information loss, CDK does not distinquish between divalence`
`626`		`- // singlet and triplet and only stores the unpaired electrons`
`627`	`625`	`@Test`
`628`	`626`	`public void testSingleTripletRadical() throws Exception {`
`629`	`627`
`@@ -641,7 +639,7 @@ public void testSingleTripletRadical() throws Exception {`
`641`	`639`	`String[] lines = sw.toString().split("\n");`
`642`	`640`
`643`	`641`	`assertThat("incorrect file length", lines.length, is(9));`
`644`		`- assertThat("incorrect radical output", lines[7], is("M RAD 1 2 1"));`
	`642`	`+ assertThat("incorrect radical output", lines[7], is("M RAD 1 2 3"));`
`645`	`643`	`}`
`646`	`644`
`647`	`645`	`@Test`