Python VasprunXMLValidator.check示例

示例#1

文件： test_validators.py 项目： pombredanne/custodian

    def test_check_and_correct(self):
        os.chdir(os.path.join(test_dir, "bad_vasprun"))
        h = VasprunXMLValidator()
        self.assertTrue(h.check())

        #Unconverged still has a valid vasprun.
        os.chdir(os.path.join(test_dir, "unconverged"))
        self.assertFalse(h.check())

示例#2

    def test_check_and_correct(self):
        os.chdir(os.path.join(test_dir, "bad_vasprun"))
        h = VasprunXMLValidator()
        self.assertTrue(h.check())

        #Unconverged still has a valid vasprun.
        os.chdir(os.path.join(test_dir, "unconverged"))
        self.assertFalse(h.check())

示例#3

文件： test_validators.py 项目： utf/custodian

    def test_check_and_correct(self):
        os.chdir(os.path.join(test_dir, "bad_vasprun"))
        h = VasprunXMLValidator()
        self.assertTrue(h.check())

        # Unconverged still has a valid vasprun.
        os.chdir(os.path.join(test_dir, "unconverged"))
        shutil.copy("vasprun.xml.electronic", "vasprun.xml")
        self.assertFalse(h.check())
        os.remove("vasprun.xml")

示例#4

文件： test_validators.py 项目： materialsproject/custodian

    def test_check_and_correct(self):
        os.chdir(os.path.join(test_dir, "bad_vasprun"))
        h = VasprunXMLValidator()
        self.assertTrue(h.check())

        # Unconverged still has a valid vasprun.
        os.chdir(os.path.join(test_dir, "unconverged"))
        shutil.copy("vasprun.xml.electronic", "vasprun.xml")
        self.assertFalse(h.check())
        os.remove("vasprun.xml")