예제 #1
0
 def __init__(self, name=''):
     self.atoms = AtomList()
     self.bonds = TrackedList()
     self.name = name
     self.head = None
     self.tail = None
     self.connections = []
     self._atomnames = set()
     self.type = UNKNOWN
     self.first_patch = None
     self.last_patch = None
     self.groups = []
예제 #2
0
 def __init__(self, name=''):
     self.atoms = AtomList()
     self.bonds = TrackedList()
     self.name = name
     self.head = None
     self.tail = None
     self.connections = []
     self.type = UNKNOWN
     self.first_patch = None
     self.last_patch = None
     self.groups = []
     self.overload_level = 0
     self._map = dict()
예제 #3
0
파일: residue.py 프로젝트: zyguostx/ParmEd
 def __init__(self, name=''):
     self.atoms = AtomList()
     self.bonds = TrackedList()
     self.lonepairs = list() # TODO: Should this be a TrackedList?
     self.name = name
     self.head = None
     self.tail = None
     self.connections = []
     self.type = UNKNOWN
     self.first_patch = None
     self.last_patch = None
     self.groups = []
     self.override_level = 0
     self._map = dict()
     self._impr = []