Depth-First: Open Babel 2.2.0

Open Babel 2.2.0

Rich Apodaca — Fri, 04 Jul 2008 11:29:00 +0000

Open Babel 2.2.0 has been released. This version introduces a variety of new features and improvements. It also includes the Ruby Open Babel interface that allows scripting through the popular Ruby language; Ruby Open Babel can be installed both quickly and easily. Further details are available from the release notes.

Future articles will highlight some of the new Open Babel features using Ruby.

"Open Babel 2.2.0" by baoilleach

Fri, 11 Jul 2008 14:25:20 +0000

For the record, the OBFingerprint bug is fixed in r2711.

"Open Babel 2.2.0" by baoilleach

Tue, 08 Jul 2008 01:57:57 +0000

Also, it would be nice to have OBMolAtomIter, etc. work as Ruby iterators. I've done this for Python by renaming OBMolAtomIter to _OBMolAtomIter, and writing a new iterator class for each of the Iters (see scripts/openbabel-python.i).

The best place to continue this discussion is at openbabel-scriptings@lists.sf.net.

"Open Babel 2.2.0" by Rich Apodaca

Mon, 07 Jul 2008 09:19:16 +0000

Noel, looks like both Hanjo and I are interested in this (any others)?

Here's one idea:

As a quality check on the Ruby interface, tests written with RSpec or RUnit, may be helpful. These automated test would tell anyone compiling the wrapper whether it worked or not.

We may be able to link the Ruby tests with Open Babel's own testing procedure to give Geoff an idea of how complete the Ruby build is.

"Open Babel 2.2.0" by Hanjo Kim

Mon, 07 Jul 2008 09:03:55 +0000

@baoilleach: Thank you for your reply (and of course your great work). Surely I'm interested in ruby wrapper of OpenBabel though I don't know how I can help the team.

"Open Babel 2.2.0" by baoilleach

Mon, 07 Jul 2008 07:19:21 +0000

It seems that I am responsible for that. I guess I had some problems compiling the wrapper on 24/01/2008 and never returned to fix it. I will make a note of this and try to sort it out for the next release. We really need someone who is interested in Ruby on the OpenBabel team.

"Open Babel 2.2.0" by Hanjo Kim

Mon, 07 Jul 2008 03:56:53 +0000

Hi,

I installed OpenBabel 2.2.0 and found that the ruby interface does not support OBFingerprint. As python and perl seem to support it, I wonder if there is any specific reason for this.