Patch to shift an IAtomContainer along a gap

Patch by Stefan, needed for JCP-prim, available from 0-other from:

http://pele.farmbio.uu.se/cgi-bin/gitweb.cgi?p=jchempaint-primary.git;a=summary

diff --git a/src/main/org/openscience/cdk/geometry/GeometryTools.java b/src/main/org/openscience/cdk/geometry/GeometryTools.java
index 4ec2e6e..b5c1576 100644 (file)
--- a/src/main/org/openscience/cdk/geometry/GeometryTools.java
+++ b/src/main/org/openscience/cdk/geometry/GeometryTools.java
@@ -38,6 +38,7 @@ import javax.vecmath.Point3d;
import javax.vecmath.Vector2d;
import javax.vecmath.Vector3d;
import java.awt.;
+import java.awt.geom.Rectangle2D;
import java.util.;
import java.util.List;

@@ -1452,4 +1453,31 @@ public class GeometryTools {
}
return bondLengthSum / bondCounter;
}
+
+
+ /*
+ * Shift the container so that it does not overlap with the previous.
+ * XXX this is a very crude layout technique!
+ * @param container the atom container to shift
+ * @param bounds the bounds of the atom container to shift
+ * @param last the bounds of the last atom container
+ /
+ public static Rectangle2D shiftContainer(
+ IAtomContainer container, Rectangle2D bounds, Rectangle2D last, double gap) {
+
+ if (bounds.intersects(last)) {
+
+ // XXX always displace across width - could be improved
+ double d = bounds.getWidth() + last.getWidth() + gap;
+
+ Point2d p = new Point2d(last.getCenterX() + d, last.getCenterY());
+ GeometryTools.translate2DCenterTo(container, p);
+ return new Rectangle2D.Double(bounds.getX() + d,
+ bounds.getY(),
+ bounds.getWidth(),
+ bounds.getHeight());
+ } else {
+ return bounds;
+ }
+ }
}