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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
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Inherited from Inherited from |
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__instance_size__ = 56
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| adjustDegree | |||
| adjustDegreeFlags | |||
| adjustHeavyDegree | |||
| adjustHeavyDegreeFlags | |||
| adjustRingCount | |||
| adjustRingCountFlags | |||
| aromatizeIfPossible | |||
| makeAtomsGeneric | |||
| makeAtomsGenericFlags | |||
| makeBondsGeneric | |||
| makeBondsGenericFlags | |||
| makeDummiesQueries | |||
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__init__( (object)arg1) -> None :
C++ signature :
void __init__(_object*)
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helper for pickle
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adjustDegree
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adjustDegreeFlags
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adjustHeavyDegree
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adjustHeavyDegreeFlags
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adjustRingCount
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adjustRingCountFlags
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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
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