def test_change_atomgr_att_fail(self, inpxml_etree):
from aiida_fleur.tools.xml_util import change_atomgr_att, eval_xpath2
etree = inpxml_etree(TEST_INP_XML_PATH)
change_atomgr_att(etree, attributedict=self.attdicts[0])
result = eval_xpath2(etree, '/fleurInput/atomGroups/atomGroup[@species="Fe-1"]/' + self.paths[0])
assert result[0] == 'TTT'
def test_change_atomgr_att_all(inpxml_etree, attr_dict, correct_result, path):
from aiida_fleur.tools.xml_util import change_atomgr_att, eval_xpath2
etree = inpxml_etree(TEST_INP_XML_PATH)
change_atomgr_att(etree, attributedict=attr_dict, species='all')
result = eval_xpath2(etree, '/fleurInput/atomGroups/atomGroup/' + path)
assert result == correct_result
def change_atomgr_att1(fleurinp_tree_copy,
attributedict,
position=None,
species=None,
create=False):
fleurinp_tree_copy = change_atomgr_att(fleurinp_tree_copy,
attributedict,
position=position,
species=species)
return fleurinp_tree_copy