def generate(opts): l = float(opts['Length']) m = int(opts['m']) n = int(opts['n']) swnt = SWNTGenerator((m, n), Lz=l) # need a better random temporary name name = 'temp{}.xyz'.format(randrange(32768)) swnt.save(fname=name) with open(name) as f: xyzData = f.read() os.remove(name) return xyzData
def test2(self): swnt = SWNTGenerator(n=10, m=10, Lz=1.0, fix_Lz=True) swnt.save() self.tmpdata.append(swnt.fname) swnt.save(structure_format='data') self.tmpdata.append(swnt.fname)
def test1(self): swnt = SWNTGenerator(n=10, m=10) swnt.save() self.tmpdata.append(swnt.fname) swnt.save(structure_format='data') self.tmpdata.append(swnt.fname)