got it -- sorry, didn't see this and was testing on my own when I
spotted this.
Say, I have a good idea:
http://www.stolaf.edu/people/hansonr/jmol/test/10.1/new.htm
This page will feature all of the new features we introduce. We'll make
one up for each new release, and
a separate directory "prerelease" for the ongoing development. The rule
will be: If we add functionality, we add an entry on this page. What do
you think?
That's where I found the order bug -- do you see it in the commit trace?
While I was at it, I noticed that part of the problem, actually, was the
mixing of numeric and defined constants. If there's one thing I HAVE
learned over the years it is that mixing numerics and defined constants
is just asking for trouble. You had a return there of 0 that I changed
to NULL_BOND_ORDER. This is passed to makeConnections(),
deleteConnections(), and autoBond(), changed to
JmolConstants.BOND_COVALENT_SINGLE for bondAB.setOrder(order) and
frame.bondAtoms(atomA, atomB, order). It looks solid to me.
Did you need that return of 0 for something from bondOrderFromString()?
If so, then we should define
BOND_ORDER_INVALID = 0
and do something with it.
Miguel wrote:
connect delete
is interpreted as
connect delete hbond (selected) (selected)
?
spontaneously I had expected
connect delete allbonds (selected) (selected)
Hmmm ...
Your expectation is correct. connect delete should delete all bonds from
every atom in the selected set to every other atom in the selected set.
connect delete should not be limited to only 'hbonds'
Will investigate.
Miguel
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