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2017-2 Schrodinger Python API
Package schrodinger :: Package application :: Package desmond :: Package packages :: Package msys :: Class InChI
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Class InChI

object --+
         |
        InChI

InChI holds an the result of an inchi invocation for a structure

Instance Methods [hide private]
 
__init__(self, system, DoNotAddH=True, SNon=True, FixedH=True)
x.__init__(...) initializes x; see help(type(x)) for signature
 
__str__(self)
str(x)
 
__nonzero__(self)

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

Properties [hide private]
  string
Computed inchi string
  auxinfo
Auxiliary info
  message
Message returned by inchi during calculation
  ok
Was an inchi computed successfully?
  key
inchi key for this object's string.

Inherited from object: __class__

Method Details [hide private]

__init__(self, system, DoNotAddH=True, SNon=True, FixedH=True)
(Constructor)

 

x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__
(inherited documentation)

__str__(self)
(Informal representation operator)

 

str(x)

Overrides: object.__str__
(inherited documentation)

Property Details [hide private]

string

Computed inchi string

Get Method:
unreachable.string(self) - Computed inchi string

auxinfo

Auxiliary info

Get Method:
unreachable.auxinfo(self) - Auxiliary info

message

Message returned by inchi during calculation

Get Method:
unreachable.message(self) - Message returned by inchi during calculation

ok

Was an inchi computed successfully?

Get Method:
unreachable.ok(self) - Was an inchi computed successfully?

key

inchi key for this object's string.

Get Method:
unreachable.key(self) - inchi key for this object's string.

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2017-2 Schrodinger Python API
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