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On Thursday 19 August 2004 13:21, E.L. Willighagen wrote:
> On Thursday 19 August 2004 11:47, Daniel Leidert wrote:
> > E.L. Willighagen wrote:
> > > On Thursday 19 August 2004 09:06, E.L. Willighagen wrote:
> > > > On Wednesday 18 August 2004 19:39, Daniel Leidert wrote:
> > > > > * The follwing methods must be changed:
> > > > > * *
> > > > > * * getX2D() --> getX2d()
> > > > > * * getY2D() --> getY2d()
> > > > > * *
> > > > > * * That's all.
> > > >
> > > > That's a bug... we still need to set up som build deamons, that bui=
ld
> > > > with certain JVM's and configurations (with/-out Java3d, JOELib)...
> > >
> > > Daniel, where do those changes need to be made?
> >
> > In <joelib-source-20040729>/src/joelib/util/cdk/CDKTools.java (line
> > 83+84). This seems to be a bug in JOElib,=20
CDK changed the D to d recently... not really a bug, more of a version=20
incompatibility :)
> > not in the CDK-source (IMHO).=20
> > Yesterday, there was no time, to post the problem to the
> > JOElib-developers mailing list.
>
> Ah, ic...
Joerg, the patch is:
=2D --- src/joelib/util/cdk/CDKTools.java 2004-08-19 13:22:57.623944000 +=
0200
+++ src/joelib/util/cdk/CDKTools.java.fixed 2004-08-19 13:26:18.5988090=
00=20
+0200
@@ -80,8 +80,8 @@
for (int i =3D 0; i < cdkAtoms.length; i++)
{
=2D - mol.getAtom(i + 1).setVector(cdkAtoms[i].getX2D(),
=2D - cdkAtoms[i].getY2D(), 0.0);
+ mol.getAtom(i + 1).setVector(cdkAtoms[i].getX2d(),
+ cdkAtoms[i].getY2d(), 0.0);
}
// remove all 3D coordinates in all atoms
Egon
=2D --=20
eg...@us...
=2D ---------------------------------------
CDK: http://cdk.sf.net/
JChemPaint: http://jchempaint.sf.net/
Jmol: http://www.jmol.org/
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