Esempio n. 1
0
    def test(self):
        args, metric = Assign.parser.parse_args([
            '-p', get('ProjectInfo.yaml', just_filename=True),
            '-g', get('Gens.lh5', just_filename=True),
            '-o', self.td,
            'rmsd', '-a', get('AtomIndices.dat', just_filename=True)],
            print_banner=False)
        Assign.main(args, metric)

        eq(load(pjoin(self.td, 'Assignments.h5')),
           get('assign/Assignments.h5'))
        eq(load(pjoin(self.td, 'Assignments.h5.distances')),
           get('assign/Assignments.h5.distances'))
Esempio n. 2
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    def test(self):
        args, metric = Assign.parser.parse_args([
            '-p', get('ProjectInfo.yaml', just_filename=True),
            '-g', get('Gens.lh5', just_filename=True),
            '-o', self.td,
            'rmsd', '-a', get('OldAtomIndices.dat', just_filename=True)],
            print_banner=False)
        if os.getenv('TRAVIS', None) == 'true':
            raise nose.SkipTest('Skipping test_Assign on TRAVIS')

        Assign.main(args, metric)

        eq(load(pjoin(self.td, 'Assignments.h5')),
           get('assign/Assignments.h5'))
        eq(load(pjoin(self.td, 'Assignments.h5.distances')),
           get('assign/Assignments.h5.distances'), decimal=5)