Source code for ase.io.py

import numpy as np


def write_py(fileobj, images):
    """Write to ASE-compatible python script."""
    fileobj.write('import numpy as np\n\n')
    fileobj.write('from ase import Atoms\n\n')

    if hasattr(images, 'get_positions'):
        images = [images]
    fileobj.write('images = [\n')

    for image in images:
        fileobj.write("    Atoms(symbols='%s',\n"
                      "          pbc=np.array(%s),\n"
                      "          cell=np.array(\n%s),\n"
                      "          positions=np.array(\n%s)),\n" % (
                          image.get_chemical_formula(mode='reduce'),
                          array_to_string(image.pbc, 0),
                          array_to_string(image.cell),
                          array_to_string(image.positions)))

    fileobj.write(']\n')


def array_to_string(array, indent=14):
    """Converts given numpy array to a string, which when printed will pass
    flake8 tests."""
    text = np.array2string(array, separator=', ', suppress_small=False,
                           formatter={'float': '{:.8f}'.format,
                                      'bool': '{}'.format})
    text = ' ' * indent + text.replace('\n', '\n' + ' ' * indent)
    return text