diff --git a/src/test/data/mdl/with000coordinate.mol b/src/test/data/mdl/with000coordinate.mol new file mode 100644 index 00000000000..25537e7f3f5 --- /dev/null +++ b/src/test/data/mdl/with000coordinate.mol @@ -0,0 +1,6 @@ + + CDK 1/12/10,12:20 + + 1 0 0 0 0 0 0 0 0 0999 V2000 + 0.0000 0.0000 0.0000 N 0 0 0 0 0 3 0 0 0 0 0 0 +M END \ No newline at end of file diff --git a/src/test/org/openscience/cdk/geometry/GeometryToolsTest.java b/src/test/org/openscience/cdk/geometry/GeometryToolsTest.java index 3a34169d7b9..89b5bb2b4c7 100644 --- a/src/test/org/openscience/cdk/geometry/GeometryToolsTest.java +++ b/src/test/org/openscience/cdk/geometry/GeometryToolsTest.java @@ -36,6 +36,7 @@ import org.openscience.cdk.Molecule; import org.openscience.cdk.Reaction; import org.openscience.cdk.config.Elements; +import org.openscience.cdk.exception.CDKException; import org.openscience.cdk.interfaces.IAtom; import org.openscience.cdk.interfaces.IAtomContainer; import org.openscience.cdk.interfaces.IBond; @@ -89,6 +90,15 @@ public class GeometryToolsTest extends CDKTestCase { Assert.assertFalse(GeometryTools.has2DCoordinates((IAtomContainer)null)); } + @Test public void testHas2DCoordinates_With000() throws CDKException { + String filenameMol = "data/mdl/with000coordinate.mol"; + InputStream ins = this.getClass().getClassLoader().getResourceAsStream(filenameMol); + Molecule molOne=null; + MDLV2000Reader reader = new MDLV2000Reader(ins, Mode.STRICT); + molOne = (Molecule)reader.read(new Molecule()); + Assert.assertEquals(2,GeometryTools.has2DCoordinatesNew(molOne)); + } + @Test public void testTranslateAllPositive_IAtomContainer() { IAtomContainer container = new NNAtomContainer(); IAtom atom = new NNAtom(Elements.CARBON);