def test2(self):
     C70 = FullereneGenerator(N=70)
     C70.save()
     self.tmpdata.append(C70.fname)
     C70.save(structure_format='data')
     self.tmpdata.append(C70.fname)
예제 #2
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 def test2(self):
     C70 = FullereneGenerator(N=70)
     C70.save()
     self.tmpdata.append(C70.fname)
     C70.save(structure_format='data')
     self.tmpdata.append(C70.fname)
 def test1(self):
     buckyball = FullereneGenerator()
     buckyball.save(fname='buckyball.xyz')
     self.tmpdata.append(buckyball.fname)
     buckyball.save(fname='buckyball.data')
     self.tmpdata.append(buckyball.fname)
예제 #4
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 def test1(self):
     buckyball = FullereneGenerator()
     buckyball.save(fname='buckyball.xyz')
     self.tmpdata.append(buckyball.fname)
     buckyball.save(fname='buckyball.data')
     self.tmpdata.append(buckyball.fname)