Commit Graph

10 Commits

Author SHA1 Message Date
Noel O'Boyle
d18872df68 * scripts/openbabel-[python,java,perl,ruby].i: Added ability to
handle
	the new pluginiter.h, and in particular, its use in
	OBFingerprint.Iter. Also, regenerated all of the dependent 
files.

	* scripts/openbabel-python.i: Removed python code added on 
2006-12-20
	to set BABEL_DATADIR as it actually had no effect.
2007-01-06 18:19:41 +00:00
Geoffrey Hutchison
9d98c5e948 Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces. 2006-12-14 23:17:34 +00:00
Noel O'Boyle
b2528f043e * scripts/openbabel-[python,ruby,java,perl].i: Updated to include all
iterators in obiter.h. Note: there is a problem getting
	OBMolPairIter to work even if std_pair.i is included and a template
	<int, int> created (compile of openbabel_python.cpp fails in this case
	so these additions have not been included).
2006-12-14 13:15:31 +00:00
Noel O'Boyle
d3783a87a9 * scripts/openbabel-[python,ruby,java,perl].i: Tidied up the
references to classes in obiter.h (e.g. there's no such thing
	as OBResidueBondIter). Added some comments. Added wrappers for Python
	to allow iteration over atoms in a molecule, etc.
	This involved renaming the original OB method, and replacing
	it by a Python class implementing the iterator protocol.
2006-12-13 13:29:36 +00:00
Noel O'Boyle
f95f7182df * scripts/openbabel-[python,ruby,java,perl].i: Added a line to
create a vector of unisigned ints, required to use the Fingerprint
	class. Also, added lines to prevent warnings due to shadowed classes
	in obiter.h.
2006-12-12 12:48:54 +00:00
Geoffrey Hutchison
0afe511e34 * include/openbabel: New directory for public headers. Ensures
internal and external code use the same 
  #include <openbabel/header.h> syntax.
2006-12-10 13:56:00 +00:00
Geoffrey Hutchison
6bb194a602 * scripts/: Added fingerprint.h header for direct access to
OBFingerprint classes.
2006-12-08 00:05:39 +00:00
Geoffrey Hutchison
8dad311517 * src/atom.h, src/base.h, src/bond.h, src/residue.h, src/mol.h,
src/ring.h, src/mol.cpp, src/base.cpp, src/obiter.h: Remove
  OBNodeBase, OBEdgeBase, and OBGraphBase classes, contributed by
  Gerd Menche.

  * tools/obprop.cpp: Ditto. Example of changing iterators to new format.

  * scripts/*: Updated based on above changes.
2006-11-20 18:43:41 +00:00
Geoffrey Hutchison
3e4bd6ae3c Updated with automated Java generation and SWIG 1.3.30. 2006-11-06 17:44:10 +00:00
Geoffrey Hutchison
07164cb7be * scripts/*: Split openbabel.i into individual copies for each
language.

  * scripts/java/*: Initial attempt at a java interface from SWIG. Untested.
2006-11-03 22:23:31 +00:00