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__init__(self,
pattern)
Initialize with SMARTS pattern |
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natoms(self)
Number of atoms in the compiled smarts pattern |
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pattern(self)
The pattern used to initialize the object |
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warnings(self)
Warnings, if any, emitted during compilation |
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findMatches(self,
annotated_system,
atoms=None)
Return list of lists representing ids of matches of this pattern in
this system, optionally requiring that the first atom match belongs
to the given set of atoms. |
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match(self,
annotated_system)
Return True if a match is found anywhere; False otherwise. |
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Inherited from object:
__delattr__,
__format__,
__getattribute__,
__hash__,
__new__,
__reduce__,
__reduce_ex__,
__setattr__,
__sizeof__,
__str__,
__subclasshook__
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