I've being setting up a Python script for testing OpenBabel's
executables, starting with a simple SMI to InChI conversion with
babel. The file is test/testbabel.py.
Unfortunately, on some non-Windows systems, the executable won't run
without BABEL_LIBDIR being set. Could testers add the following to the
end of their CMake scripts for testing?
SET (CTEST_ENVIRONMENT
"BABEL_DATADIR=${CTEST_SOURCE_DIRECTORY}/data"
"BABEL_LIBDIR=${CTEST_BINARY_DIRECTORY}/lib"
)
The test code itself is simple and doesn't require the Python
bindings. After some setup code, there's just:
def testSMItoInChI(self):
self.canFindExecutable("babel")
output, error = run_exec("CC(=O)Cl", "babel -ismi -oinchi")
self.assertEqual(output.rstrip(), "InChI=1S/C2H3ClO/c1-2(3)4/h1H3")
- Noel
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