Python SWNTBundleGenerator Examples

Example #1

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

 def test2(self):
     bundle = SWNTBundleGenerator(n=10, m=0, nx=10, ny=3, nz=5)
     assert_equal(bundle.Ntubes, len(set(bundle.mol_ids)))
     bundle.save()
     self.tmpdata.append(bundle.fname)
     bundle.save(structure_format='data')
     self.tmpdata.append(bundle.fname)

Example #2

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

 def test1(self):
     bundle = SWNTBundleGenerator(n=10, m=5, nx=3, ny=3, nz=1,
                                  bundle_geometry='hexagon')
     assert_equal(bundle.Ntubes, len(set(bundle.mol_ids)))
     bundle.save()
     self.tmpdata.append(bundle.fname)
     bundle.save(structure_format='data')
     self.tmpdata.append(bundle.fname)

Example #3

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

 def test3(self):
     bundle = \
         SWNTBundleGenerator(n=10, m=5, nx=3, ny=3, nz=1,
                             bundle_packing='ccp')
     assert_equal(bundle.Ntubes, len(set(bundle.mol_ids)))
     bundle.save()
     self.tmpdata.append(bundle.fname)
     bundle.save(structure_format='data')
     self.tmpdata.append(bundle.fname)

Example #4

 def test4(self):
     swnt = SWNTGenerator(n=10, m=5, nz=1)
     bundle = \
         SWNTBundleGenerator(n=10, m=5, nx=3, ny=3, nz=1,
                             bundle_packing='ccp')
     assert_true(bundle.Natoms, bundle.Ntubes * swnt.Natoms)
     assert_equal(bundle.Ntubes, len(set(bundle.mol_ids)))

Example #5

 def test2(self):
     bundle = SWNTBundleGenerator(n=10, m=0, nx=10, ny=3, nz=5)
     assert_equal(bundle.Ntubes, len(set(bundle.mol_ids)))
     bundle.save()
     self.tmpdata.append(bundle.fname)
     bundle.save(structure_format='data')
     self.tmpdata.append(bundle.fname)

Example #6

 def test3(self):
     bundle = \
         SWNTBundleGenerator(n=10, m=5, nx=3, ny=3, nz=1,
                             bundle_packing='ccp')
     assert_equal(bundle.Ntubes, len(set(bundle.mol_ids)))
     bundle.save()
     self.tmpdata.append(bundle.fname)
     bundle.save(structure_format='data')
     self.tmpdata.append(bundle.fname)

Example #7

 def test1(self):
     bundle = SWNTBundleGenerator(n=10,
                                  m=5,
                                  nx=3,
                                  ny=3,
                                  nz=1,
                                  bundle_geometry='hexagon')
     assert_equal(bundle.Ntubes, len(set(bundle.mol_ids)))
     bundle.save()
     self.tmpdata.append(bundle.fname)
     bundle.save(structure_format='data')
     self.tmpdata.append(bundle.fname)

Example #8

from sknano.generators import SWNTBundleGenerator
bundle = SWNTBundleGenerator(n=10, m=5, nz=2, bundle_geometry='hexagon')
bundle.save_data()