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