Hi all/Greg,
I have a database of sdf.gz files and I want to gzip it in Windows. From the
manual, ForwardSDMolSupplier is found in Chem.rdmolfiles of the 2020.03.01
verson.
class rdkit.Chem.rdmolfiles.ForwardSDMolSupplier((object)arg1,
(AtomPairsParameters)fileobj[, (bool)sanitize=True[, (bool)removeHs=True[,
(bool)strictParsing=True]]]) → None :
Bases: Boost.Python.instance
A class which supplies molecules from file-like object containing SD data.
Usage examples:
1. Lazy evaluation: the molecules are not constructed until we ask for them:
>>> suppl = ForwardSDMolSupplier(file('in.sdf'))
>>> for mol in suppl:
... if mol is not None: mol.GetNumAtoms()
2. we can also read from compressed files:
>>> import gzip
>>> suppl = ForwardSDMolSupplier(gzip.open('in.sdf.gz'))
>>> for mol in suppl:
... if mol is not None: print mol.GetNumAtoms()
Then when I tried it in Spyder 4, this appeared:
suppl = ForwardSDMolSupplier(gzip.open('G:\Joanna\RDC\rdkit gz
files\pubchem-compound-rnd-1k.sdf.gz'))
Traceback (most recent call last):
File "<ipython-input-15-0da953541062>", line 1, in <module>
suppl = ForwardSDMolSupplier(gzip.open('G:\Joanna\RDC\rdkit gz
files\pubchem-compound-rnd-1k.sdf.gz'))
NameError: name 'ForwardSDMolSupplier' is not defined
I traced the location of rdmolfiles, but it is in pyd so I cannot check if the
function was encoded there. I was tracing the location of ForwardSDMolSupplier
and I found something in a folder under the "Chem" class folder named
"Supplier" but I am not sure if I am in the right direction. I could not locate
the location of the function so maybe someone can help me out so I can call out
the right subclass. Thank you.
Joanna
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