diff --git a/parser/parser-vasp/parser_vasprun.py b/parser/parser-vasp/parser_vasprun.py index 7df6ce814e7109ffed12e0ff260496e262df5b30..da5f4ce320f886eb33f1d45ac9f01efd495060e4 100644 --- a/parser/parser-vasp/parser_vasprun.py +++ b/parser/parser-vasp/parser_vasprun.py @@ -216,12 +216,17 @@ class MyXMLParser(ET.XMLParser): else: mydata = data super(MyXMLParser,self).feed(mydata) - +def transform2(y): + if '**' in y: return float('nan') + else: return y def getVector(el, transform = float, field = "v"): """ returns the vasp style vector contained in the element el (using field v). single elements are converted using the function convert""" - return [[transform(y) for y in re.split(r"\s+", x.text.strip())] for x in el.findall(field)] +# +# for x in el.findall(field): +# for y in re.split(r"\s+", x.text.strip()): + return [[transform(transform2(y)) for y in re.split(r"\s+", x.text.strip())] for x in el.findall(field)] class VasprunContext(object): def __init__(self):