def __init__(self, atom_number, prop_name, value_string, units_string, interval, notes):
self.atom_number = atom_number
self.property_name = strip_quotes(prop_name)
#----------------------------------------#
self.value = self._get_missing_status(value_string)
if self.value is None:
self.value = self._parse_value_string(value_string)
#----------------------------------------#
self.units = self._get_missing_status(units_string)
if self.units is None:
self.units = strip_quotes(units_string)
#----------------------------------------#
self.interval = self._get_missing_status(interval)
if self.interval is None:
self.interval = self._parse_interval(interval)
#----------------------------------------#
self.notes = self._get_missing_status(notes)
if self.notes is None:
self.notes = strip_quotes(notes)
def __init__(self, atom_number, prop_name, value_string, units_string,
interval, notes):
self.atom_number = atom_number
self.property_name = strip_quotes(prop_name)
#----------------------------------------#
self.value = self._get_missing_status(value_string)
if self.value is None:
self.value = self._parse_value_string(value_string)
#----------------------------------------#
self.units = self._get_missing_status(units_string)
if self.units is None:
self.units = strip_quotes(units_string)
#----------------------------------------#
self.interval = self._get_missing_status(interval)
if self.interval is None:
self.interval = self._parse_interval(interval)
#----------------------------------------#
self.notes = self._get_missing_status(notes)
if self.notes is None:
self.notes = strip_quotes(notes)
def _parse_value_string(value_string):
m = re.match(r'(-?\d+\.?\d*)(?:`(-?\d+?\.?\d*))?(?:\*^(-?\d+\.?\d*))?', value_string)
if m:
num = m.group(1)
if m.groups()[2] is not None:
float_expon = float(m.group(3))
expon = int(round(float_expon))
value_string = num + "e{}".format(expon)
else:
value_string = num
return value_string
elif value_string[0] == "{" and value_string[-1] == "}":
if len(value_string) == 2:
return []
else:
return [MathematicaElementDatum._parse_value_string(v) for v in re.split("\s*,\s*", value_string[1:-1])]
else:
return strip_quotes(value_string)
def _parse_value_string(value_string):
m = re.match(r'(-?\d+\.?\d*)(?:`(-?\d+?\.?\d*))?(?:\*^(-?\d+\.?\d*))?',
value_string)
if m:
num = m.group(1)
if m.groups()[2] is not None:
float_expon = float(m.group(3))
expon = int(round(float_expon))
value_string = num + "e{}".format(expon)
else:
value_string = num
return value_string
elif value_string[0] == "{" and value_string[-1] == "}":
if len(value_string) == 2:
return []
else:
return [
MathematicaElementDatum._parse_value_string(v)
for v in re.split("\s*,\s*", value_string[1:-1])
]
else:
return strip_quotes(value_string)
