More efficient writing of a large number of structures to a single
SMILES CSV file.
|
__init__(self,
filename,
stereo=None,
props=None)
x.__init__(...) initializes x; see help(type(x)) for signature |
|
|
|
append(self,
st)
Append the provided structure to the open SMILES CSV file. |
|
|
|
_openWriter(self,
propnames)
Open the CSV writer and write the header derived from the specified
property names. |
|
|
|
_writeRow(self,
pattern,
prop_dict)
Write a row to the CSV file, include all properties in
self._ct_prop_names. |
|
|
|
|
|
close(self)
Close the file. |
|
|
|
__del__(self)
Close the file when instance is deleted. |
|
|
Inherited from _BaseWriter :
setOption
Inherited from _ReaderWriterContextManager :
__enter__ ,
__exit__
Inherited from object :
__delattr__ ,
__format__ ,
__getattribute__ ,
__hash__ ,
__new__ ,
__reduce__ ,
__reduce_ex__ ,
__repr__ ,
__setattr__ ,
__sizeof__ ,
__str__ ,
__subclasshook__
|