def parseRow():
atom = yield regex(r'\s*[a-zA-Z.]*')
yield whitespace.many()
x = yield floatParser
yield whitespace.many()
y = yield floatParser
yield whitespace.many()
z = yield floatParser
return np.array([x, y, z]), atom.strip()
def parseRow():
atom = yield regex(r'\s*[a-zA-Z0-9.]*')
try:
atomNumber = int(atom)
atom = atom_names[atomNumber]
except ValueError:
pass
yield whitespace.many()
x = yield floatParser
yield whitespace.many()
y = yield floatParser
yield whitespace.many()
z = yield floatParser
return np.array([x, y, z]), atom.strip()
def parseContent():
yield parseHeader.optional()
table = yield parseRow.many()
yield whitespace.many()
atomCoords = [a[0] for a in table]
atomNames = [a[1] for a in table]
return np.array(atomCoords), np.array(atomNames)
def partsParser():
rangeOrNumber = whitespace.many() >> (rangeParser | uintToList)
rangesList = yield rangeOrNumber.sep_by(string(','))
return flatten(rangesList)
def rangeParser():
lower = yield uintParser
yield whitespace.many() >> string('-') >> whitespace.many()
upper = yield uintParser
return list(range(lower, upper + 1))