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object --+
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??.instance --+
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SDWriter
A class for writing molecules to SD files.
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__instance_size__ = 36
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NumMols( (SDWriter)arg1) -> int :
Returns the number of molecules written so far.
C++ signature :
unsigned int NumMols(RDKit::SDWriter {lvalue})
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SetProps( (SDWriter)arg1, (AtomPairsParameters)arg2) -> None :
Sets the properties to be written to the output file
ARGUMENTS:
- props: a list or tuple of property names
C++ signature :
void SetProps(RDKit::SDWriter {lvalue},boost::python::api::object)
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__init__( (object)arg1, (str)fileName) -> None :
C++ signature :
void __init__(_object*,std::string)
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helper for pickle
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flush( (SDWriter)arg1) -> None :
Flushes the output file (forces the disk file to be updated).
C++ signature :
void flush(RDKit::SDWriter {lvalue})
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write( (SDWriter)self, (Mol)mol [, (int)confId=-1]) -> None :
Writes a molecule to the output file.
ARGUMENTS:
- mol: the Mol to be written
- confId: (optional) ID of the conformation to write
C++ signature :
void write(RDKit::SDWriter {lvalue},RDKit::ROMol {lvalue} [,int=-1])
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