Package schrodinger :: Package application :: Package desmond :: Package packages :: Package msys :: Class Bond

Class Bond

object --+    
         |    
    Handle --+
             |
            Bond

Represents a bond in a System

Instance Methods

__repr__(self)
repr(x)

data(self)

remove(self)
remove this Bond from the System

other(self, atom)
atom in bond not the same as given atom

__setitem__(self, key, val)
set custom Bond property

__getitem__(self, key)
get custom Bond property

__contains__(self, key)
does custom Bond property exist?

Inherited from Handle: __eq__, __hash__, __init__, __ne__

Inherited from object: __delattr__, __format__, __getattribute__, __new__, __reduce__, __reduce_ex__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

first
first Atom in the bond (the one with lower id)

second
second Atom in the bond (the one with higher id)

atoms
Atoms in this Bond

order
bond order (int)

Inherited from Handle: id, system

Inherited from Handle (private): _id, _ptr

Inherited from object: __class__

Method Details

repr(x)

Property Details

first Atom in the bond (the one with lower id)

Get Method:: unreachable.first(self) - first Atom in the bond (the one with lower id)

second Atom in the bond (the one with higher id)

Get Method:: unreachable.second(self) - second Atom in the bond (the one with higher id)

Atoms in this Bond

bond order (int)