def get_potential_file_content(self):
if "file_contents" in self.data:
content = ""
for line in self.data["file_contents"]:
content += "{}".format(line)
else:
content = write_lammps_format(self.data)
return content
def get_potential_file_content(self):
"""Get the data from the potential file
:return: reaxff potential file content
:rtype: str
"""
if 'file_contents' in self.data:
content = ''
for line in self.data['file_contents']:
content += f'{line}'
else:
content = write_lammps_format(self.data)
return content
def test_round_trip_lammps_format2(file_regression):
"""Check that one can write the reaxff potential in the second format"""
data = read_lammps_format(lammps_file2.splitlines())
output = write_lammps_format(data)
file_regression.check(output)
def test_round_trip_lammps_format2(file_regression):
data = read_lammps_format(lammps_file2.splitlines())
output = write_lammps_format(data)
file_regression.check(output)