From: Rajarshi G. <raj...@us...> - 2005-05-17 02:59:41
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/geometry/surface In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv5677/src/org/openscience/cdk/geometry/surface Modified Files: NumericalSurface.java Log Message: Added a comment to make the code a little clearer Index: NumericalSurface.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/geometry/surface/NumericalSurface.java,v retrieving revision 1.1 retrieving revision 1.2 diff -u -r1.1 -r1.2 --- NumericalSurface.java 9 May 2005 23:42:35 -0000 1.1 +++ NumericalSurface.java 16 May 2005 20:16:06 -0000 1.2 @@ -222,6 +222,7 @@ private void translatePoints(int atmIdx, Point3d[][] points, int point_density, Atom atom, Point3d cp) { double total_radius = atom.getVanderwaalsRadius() + solvent_radius; + double area = 4 * Math.PI * (total_radius*total_radius) * points.length / point_density; double sumx = 0.0; @@ -294,6 +295,10 @@ points.add( tmp ); } } + + // the first column contains the transformed points + // and the second column contains the points from the + // original unit tesselation Point3d[][] ret = new Point3d[ points.size() ][2]; for (int i = 0; i < points.size(); i++) { Point3d[] tmp = (Point3d[])points.get(i); |