from pynao.m_color import color as bc
import xml.etree.ElementTree as ET
from pynao.m_siesta_xml import pref
[docs]def siesta_xml_print(label="siesta"):
fname = label+".xml"
try :
tree = ET.parse(fname)
except:
raise SystemError(fname+" cannot be parsed: calculation did not finish?")
roo = tree.getroot()
fin=roo.find(pref+"module[@title='Finalization']")
mol=fin.find(pref+"molecule")
coo=mol.find(pref+"atomArray")
print(bc.RED+"children of roo[t]"+bc.ENDC)
for child in roo:
print(child.tag, child.attrib, child.text, len(child))
print(bc.RED+"children of fin"+bc.ENDC)
for child in fin:
print(len(child), child.tag, child.attrib, child.text, len(child))
print(bc.RED+"children of mol"+bc.ENDC)
for child in mol:
print(len(child), child.tag, child.attrib, child.text)
print(bc.RED+"children of coo"+bc.ENDC+" (only attrib)")
for child in coo:
print(len(child), child.attrib)
return 0