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additions for AtomPlcer3D
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Signed-off-by: Rajarshi  Guha <rajarshi.guha@gmail.com>
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danielszisz authored and rajarshi committed May 2, 2012
1 parent ea2b55e commit 36db127
Showing 1 changed file with 5 additions and 3 deletions.
Expand Up @@ -31,6 +31,7 @@
import org.openscience.cdk.AtomContainer;
import org.openscience.cdk.CDKConstants;
import org.openscience.cdk.annotations.TestClass;
import org.openscience.cdk.annotations.TestMethod;
import org.openscience.cdk.exception.CDKException;
import org.openscience.cdk.geometry.GeometryTools;
import org.openscience.cdk.interfaces.IAtom;
Expand All @@ -47,9 +48,8 @@
* @cdk.module builder3d
* @cdk.githash
*/
@TestClass("org.openscience.cdk.modeling.builder3d.AtomPlacer3DTest" +
"org.openscience.cdk.modeling.builder3d.FurtherAtomPlacer3DTest")

@TestClass("org.openscience.cdk.modeling.builder3d.AtomPlacer3DTest " +
"org.openscience.cdk.modeling.builder3d.FurtherAtomPlacer3DTest")
public class AtomPlacer3D {

private Map<Object,List> pSet = null;
Expand Down Expand Up @@ -315,6 +315,7 @@ private int getDoubleBondConfiguration2D(IBond bond,Point2d a, Point2d b,Point2d
* @param id2 atom2 id
* @return The distanceValue value from the force field parameter set
*/
@TestMethod("testGetBondLengthValue")
public double getBondLengthValue(String id1, String id2){
String dkey = "";
if (pSet.containsKey(("bond" + id1 + ";" + id2))) {
Expand All @@ -339,6 +340,7 @@ public double getBondLengthValue(String id1, String id2){
* @param id3 Description of the Parameter
* @return The angleKey value
*/
@TestMethod("testGetAngleValue")
public double getAngleValue(String id1, String id2, String id3) {
String akey = "";
if (pSet.containsKey(("angle" + id1 + ";" + id2 + ";" + id3))) {
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