def test3(self): Ch = [(3, 3), (4, 4), (5,5)] bundle = MWNTBundleGenerator(Ch=Ch, nx=5, ny=2, Lz=0.5) bundle.save() self.tmpdata.append(bundle.fname) bundle.save(structure_format='data') self.tmpdata.append(bundle.fname)
def test1(self): bundle = MWNTBundleGenerator(max_walls=2, Lz=1.0, bundle_geometry='hexagon') bundle.save() self.tmpdata.append(bundle.fname) bundle.save(structure_format='data') self.tmpdata.append(bundle.fname)
def test2(self): Ch = [(5,5), (10,10), (15, 15), (20, 20)] bundle = MWNTBundleGenerator(Ch=Ch, Lz=0.5, bundle_geometry='hexagon') bundle.save() self.tmpdata.append(bundle.fname) bundle.save(structure_format='data') self.tmpdata.append(bundle.fname)
def test3(self): Ch = [(3, 3), (4, 4), (5, 5)] bundle = MWNTBundleGenerator(Ch=Ch, nx=5, ny=2, Lz=0.5) bundle.save() self.tmpdata.append(bundle.fname) bundle.save(structure_format='data') self.tmpdata.append(bundle.fname)
def test2(self): Ch = [(5, 5), (10, 10), (15, 15), (20, 20)] bundle = MWNTBundleGenerator(Ch=Ch, Lz=0.5, bundle_geometry='hexagon') bundle.save() self.tmpdata.append(bundle.fname) bundle.save(structure_format='data') self.tmpdata.append(bundle.fname)
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)