Updated to use plugin descriptors. Changed to create a single instance
of plugin descriptors and fingerprinters. Also, readfile now raises an
IOError if the file does not exist.
* scripts/python/examples/findcoverage.bat: Add .bat file to automate
calculation of code coverage for pybel
* scripting interfaces: added a method to cast OBGenericData to
OBPairData
* pybel: added dictionary-like support for accessing molecule data,
and updated the tests and the API documentation
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.
.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.
