Python MWNTGenerator Examples

Example #1

File: test_mwnt_generator.py Project: haidi-ustc/scikit-nano

 def test1(self):
     mwnt = MWNTGenerator(max_walls=3, Lz=1.0)
     print(mwnt)
     print(mwnt.todict())
     mwnt.save()
     self.tmpdata.append(mwnt.fname)
     mwnt.save(structure_format='data')
     self.tmpdata.append(mwnt.fname)

Example #2

File: test_mwnt_generator.py Project: haidi-ustc/scikit-nano

 def test3(self):
     mwnt = MWNTGenerator(Ch=[(5, 5), (10, 10), (20, 20)], Lz=1.0)
     print(mwnt)
     print(mwnt.todict())
     assert_equal(mwnt.Nwalls, 3)
     assert_equal(mwnt.chiral_set, set(['armchair']))
     mwnt.save()
     self.tmpdata.append(mwnt.fname)
     mwnt.save(structure_format='data')
     self.tmpdata.append(mwnt.fname)

Example #3

File: test_mwnt_generator.py Project: chr7stos/scikit-nano

 def test1(self):
     mwnt = MWNTGenerator(max_walls=3, Lz=1.0)
     print(mwnt)
     print(mwnt.todict())
     mwnt.save()
     self.tmpdata.append(mwnt.fname)
     mwnt.save(structure_format='data')
     self.tmpdata.append(mwnt.fname)

Example #4

File: test_mwnt_generator.py Project: chr7stos/scikit-nano

 def test3(self):
     mwnt = MWNTGenerator(Ch=[(5, 5), (10, 10), (20, 20)], Lz=1.0)
     print(mwnt)
     print(mwnt.todict())
     assert_equal(mwnt.Nwalls, 3)
     assert_equal(mwnt.chiral_set, set(['armchair']))
     mwnt.save()
     self.tmpdata.append(mwnt.fname)
     mwnt.save(structure_format='data')
     self.tmpdata.append(mwnt.fname)

Example #5

File: test_mwnt_bundle_generator.py Project: haidi-ustc/scikit-nano

 def test4(self):
     Ch_list = [(3, 3), (4, 4), (5, 5)]
     mwnt = MWNTGenerator(Ch_list=Ch_list, Lz=1.0)
     bundle = MWNTBundleGenerator(Ch_list=Ch_list, nx=3, ny=2, Lz=1.0)
     assert_true(bundle.Natoms, bundle.Ntubes * mwnt.Natoms)