[Cdk-devel] [ cdk-Bugs-949638 ] Aromatic bonds (non-ring) not rendered

[SourceForge.net <no...@so...>]

Bugs item #949638, was opened at 2004-05-07 11:31
Message generated for change (Tracker Item Submitted) made by Item Submitter
You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=120024&aid=949638&group_id=20024

Category: org.openscience.cdk.renderer
Group: None
Status: Open
Resolution: None
Priority: 5
Submitted By: Chris Pudney (cpudney)
Assigned to: Nobody/Anonymous (nobody)
Summary: Aromatic bonds (non-ring) not rendered

Initial Comment:
G'day,

If a bond that is not in a ring has bond order ==
CDKConstants.BONDORDER_AROMATIC then it is not rendered.

An example structure that produces this error is:
c1(c(c(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C)C(C)C
Bonds for the N+ atoms are not rendered.

The problem appears to be that Renderer2D.paintBond()
doesn't handle the case in which bond.getOrder() ==
CDKConstants.BONDORDER_AROMATIC.

A workaround is to replace the final else block with
the following:

// Draw bond order when no stereo info is available
double order = bond.getOrder();
if (order == CDKConstants.BONDORDER_SINGLE) {
    paintSingleBond(bond, bondColor, graphics);
} else if (order == CDKConstants.BONDORDER_DOUBLE) {
    paintDoubleBond(bond, bondColor, graphics);
} else if (order == CDKConstants.BONDORDER_TRIPLE) {
    paintTripleBond(bond, bondColor, graphics);
} else {
    paintSingleBond(bond, bondColor, graphics);
}

A diff patch is attached.

This fixes the problem and all jUnit tests pass.

Regards,
Chris.


----------------------------------------------------------------------

You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=120024&aid=949638&group_id=20024