Package schrodinger :: Package application :: Package desmond :: Module fep_gui :: Class _Atom
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Class _Atom

Instance Methods [hide private]
 
__init__(self, atom_type, elem, name, bonded_atom, q=0)
Construct an _Atom.
 
is_matched(self, atom, ct)
Method Details [hide private]

__init__(self, atom_type, elem, name, bonded_atom, q=0)
(Constructor)

 

Construct an _Atom.

Parameters:
  • name - The name to be shown in the target table.
  • bonded_atom - A list of tuples that contains two elements: one is an integer specifying the bond order (1, 2, 3, ...), the other is a string specifying the element of the bonded atom.