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3 Commits
Author SHA1 Message Date
Noel O'Boyle 7f65eec16a * fingerprint.cpp/.h: Changed the FindFingerprint method to 
accept
	const string& instead of string&. This is necessary for access 
to this
	function from Python.
	
	* scripts/python/pybel.py, testpybel.py, pybelapi.html: Added a 
method
	to Molecule for calculating a molecular fingerprint, handled by 
a new
	Fingerprint class.
 2006-12-16 21:51:22 +00:00
Noel O'Boyle 7caab0c0f7 * scripts/python/pybel.py, testpybel.py, pybelapi.html: Added a 
.close() method to the Outputfile class of Pybel. This uses the
	CloseOutFile() method added by Chris Morley in r1606. This is
	necessary to ensure that all tests pass on Windows.
 2006-11-25 09:49:50 +00:00
Noel O'Boyle 71b835bcad * scripts/python/setup.py, pyopenbabel.py, testpyopenbabel.py, 
pyopenbabelapi.html: Changed all references to pyopenbabel to 
pybel
        (new name). Also, corrected minor typo in docstring in pybel.py.
 2006-11-18 13:31:04 +00:00