def test_read_bad_pcm(self): str_pcm = """I'm once again trying to break you! $pcm theory = cpcm radii = uff vdwscale = 1.1 $end""" pcm_test = QCInput.read_pcm(str_pcm) pcm_actual = {} self.assertDictEqual(pcm_actual, pcm_test)
def test_read_pcm(self): str_pcm = """I'm once again trying to break you! $pcm theory cpcm radii uff vdwscale 1.1 $end""" pcm_test = QCInput.read_pcm(str_pcm) pcm_actual = {"theory": "cpcm", "radii": "uff", "vdwscale": "1.1"} self.assertDictEqual(pcm_actual, pcm_test)
def test_read_pcm(self): str_pcm = """I'm once again trying to break you! $pcm theory cpcm radii uff vdwscale 1.1 $end""" pcm_test = QCInput.read_pcm(str_pcm) pcm_actual = { "theory": "cpcm", "radii": "uff", "vdwscale": "1.1" } self.assertDictEqual(pcm_actual, pcm_test)