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2017-2 Schrodinger Python API
Package schrodinger :: Package application :: Package matsci :: Module coarsegrain :: Class FusedRing
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Class FusedRing

object --+
         |
        FusedRing

Manage a fused ring.

Instance Methods [hide private]
 
__init__(self, rings)
Create an instance.
list
_getEdges(self)
Return a list of edges.
list
getAtomIndices(self)
Return a list of atom indices.

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

Static Methods [hide private]
OrderedDict
_getIdxsRingsDict(st)
Return an ordered dictionary where keys are tuples of atom indices and values are lists of ring objects for the given atoms.
list
getFusedRings(st)
Return a list of fused ring objects for the given structure.
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, rings)
(Constructor)

 

Create an instance.

Parameters:
  • rings (list) - contains schrodinger.structure._Ring
Overrides: object.__init__

_getEdges(self)

 

Return a list of edges.

Returns: list
contains schrodinger.structure._StructureBond

getAtomIndices(self)

 

Return a list of atom indices.

Returns: list
atom indices

_getIdxsRingsDict(st)
Static Method

 

Return an ordered dictionary where keys are tuples of atom indices and values are lists of ring objects for the given atoms.

Parameters:
  • st (structure.Structure) - the structure
Returns: OrderedDict
keys are tuples of atom indices, values are lists of schrodinger.structure._Ring

getFusedRings(st)
Static Method

 

Return a list of fused ring objects for the given structure.

Parameters:
  • st (structure.Structure) - the structure
Returns: list
contains FusedRing

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2017-2 Schrodinger Python API
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