Package rdkit :: Package Chem :: Module rdmolops :: Class AdjustQueryParameters
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Class AdjustQueryParameters

 object --+    
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??.instance --+
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             AdjustQueryParameters

Parameters controlling which components of the query atoms are adjusted.

Attributes:
  - adjustDegree: 
      modified atoms have an explicit-degree query added based on their degree in the query 
  - adjustHeavyDegree: 
      modified atoms have a heavy-atom-degree query added based on their degree in the query 
  - adjustDegreeFlags: 
      controls which atoms have a degree query added 
  - adjustRingCount: 
      modified atoms have a ring-count query added based on their ring count in the query 
  - adjustRingCountFlags: 
      controls which atoms have a ring-cout query added 
  - makeDummiesQueries: 
      dummy atoms that do not have a specified isotope are converted to any-atom queries 
  - aromatizeIfPossible: 
      attempts aromaticity perception on the molecule 
  - makeBondsGeneric: 
      convert bonds to generic (any) bonds 
  - makeBondsGenericFlags: 
      controls which bonds are made generic 
  - makeAtomsGeneric: 
      convert atoms to generic (any) atoms 
  - makeAtomsGenericFlags: 
      controls which atoms are made generic 

A note on the flags controlling which atoms/bonds are modified: 
   These generally limit the set of atoms/bonds to be modified.
   For example if ADJUST_RINGSONLY is set, then only atoms in rings will be modified.
       ADJUST_IGNORENONE causes all atoms to be modified
       ADJUST_SETALL sets all of the ADJUST flags
   Some of the options obviously make no sense for bonds

Instance Methods [hide private]
 
__init__(...)
__init__( (object)arg1) -> None :
 
__reduce__(...)
helper for pickle

Inherited from unreachable.instance: __new__

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

Class Variables [hide private]
  __instance_size__ = 56
Properties [hide private]
  adjustDegree
  adjustDegreeFlags
  adjustHeavyDegree
  adjustHeavyDegreeFlags
  adjustRingCount
  adjustRingCountFlags
  aromatizeIfPossible
  makeAtomsGeneric
  makeAtomsGenericFlags
  makeBondsGeneric
  makeBondsGenericFlags
  makeDummiesQueries

Inherited from object: __class__

Method Details [hide private]

__init__(...)
(Constructor)

 

__init__( (object)arg1) -> None :

    C++ signature :
        void __init__(_object*)

Overrides: object.__init__

__reduce__(...)

 
helper for pickle

Overrides: object.__reduce__
(inherited documentation)

Property Details [hide private]

adjustDegree

Get Method:
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Set Method:
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adjustDegreeFlags

Get Method:
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Set Method:
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adjustHeavyDegree

Get Method:
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Set Method:
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adjustHeavyDegreeFlags

Get Method:
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Set Method:
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adjustRingCount

Get Method:
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Set Method:
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adjustRingCountFlags

Get Method:
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aromatizeIfPossible

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makeAtomsGeneric

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makeAtomsGenericFlags

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makeBondsGeneric

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makeBondsGenericFlags

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makeDummiesQueries

Get Method:
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Set Method:
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