Python XYZWriter.close Examples

Example #1

    def test_single_name(self):
        u = make_Universe(trajectory=True)

        w = XYZWriter(self.outfile, atoms='ABC')
        w.write(u.trajectory.ts)
        w.close()

        u2 = mda.Universe(self.outfile)
        assert_(all(u2.atoms.names == 'ABC'))

Example #2

    def test_no_names(self, outfile):
        u = make_Universe(trajectory=True)

        w = XYZWriter(outfile)
        w.write(u.trajectory.ts)
        w.close()

        u2 = mda.Universe(outfile)
        assert all(u2.atoms.names == 'X')

Example #3

File: test_xyz.py Project: alejob/mdanalysis

    def test_single_name(self):
        u = make_Universe(trajectory=True)

        w = XYZWriter(self.outfile, atoms='ABC')
        w.write(u.trajectory.ts)
        w.close()

        u2 = mda.Universe(self.outfile)
        assert_(all(u2.atoms.names == 'ABC'))

Example #4

    def test_list_names(self):
        u = make_Universe(trajectory=True)

        names = ['A', 'B', 'C', 'D', 'E'] * 25

        w = XYZWriter(self.outfile, atoms=names)
        w.write(u.trajectory.ts)
        w.close()

        u2 = mda.Universe(self.outfile)
        assert_(all(u2.atoms.names == names))

Example #5

File: test_xyz.py Project: alejob/mdanalysis

    def test_list_names(self):
        u = make_Universe(trajectory=True)

        names = ['A', 'B', 'C', 'D', 'E'] * 25

        w = XYZWriter(self.outfile, atoms=names)
        w.write(u.trajectory.ts)
        w.close()

        u2 = mda.Universe(self.outfile)
        assert_(all(u2.atoms.names == names))