Class SinglePropFilter
object --+
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SingleFilter --+
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SinglePropFilter
Check if a structure satisfies an expression testing a single
property. The expression uses the syntax supported by
$SCHRODINGER/utilities/propfilter. For example, "r_i_glide_gscore
< -5 > -6".
This class and associated functions support both Structure objects and
RDKit Mol objects.
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__init__(self,
expr)
x.__init__(...) initializes x; see help(type(x)) for signature |
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bool
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checkStructure(self,
st_or_mol)
Return True if st_or_mol passes the filters; False otherwise. |
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Inherited from object :
__delattr__ ,
__format__ ,
__getattribute__ ,
__hash__ ,
__new__ ,
__reduce__ ,
__reduce_ex__ ,
__repr__ ,
__setattr__ ,
__sizeof__ ,
__str__ ,
__subclasshook__
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__init__(self,
expr)
(Constructor)
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x.__init__(...) initializes x; see help(type(x)) for signature
- Overrides:
object.__init__
- (inherited documentation)
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checkStructure(self,
st_or_mol)
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Return True if st_or_mol passes the filters; False otherwise.
- Parameters:
st_or_mol (Structure or Mol)
- Returns: bool
- Overrides:
SingleFilter.checkStructure
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