mordred/_base/calculator.py
def pandas(self, mols, nproc=None, nmols=None, quiet=False, ipynb=False, id=-1):
        r"""Calculate descriptors over mols.

        Returns:
            pandas.DataFrame

        """
        from .pandas_module import MordredDataFrame, Series

        if isinstance(mols, Series):
            index = mols.index
        else:
            index = None

        return MordredDataFrame(
            (list(r) for r in self.map(mols, nproc, nmols, quiet, ipynb, id)),
            columns=[str(d) for d in self.descriptors],
            index=index,
        )
def pandas(self, mols, nproc=None, nmols=None, quiet=False, ipynb=False, id=-1):
        r"""Calculate descriptors over mols.

        Returns:
            pandas.DataFrame

        """
        from .pandas_module import MordredDataFrame, Series

        if isinstance(mols, Series):
            index = mols.index
        else:
            index = None

        return MordredDataFrame(
            (list(r) for r in self.map(mols, nproc, nmols, quiet, ipynb, id)),
            columns=[str(d) for d in self.descriptors],
            index=index,
        )
def pandas ( self , mols , nproc = None , nmols = None , quiet = False , ipynb = False , id = - 1 ) : from . pandas_module import MordredDataFrame , Series if isinstance ( mols , Series ) : index = mols . index else : index = None return MordredDataFrame ( ( list ( r ) for r in self . map ( mols , nproc , nmols , quiet , ipynb , id ) ) , columns = [ str ( d ) for d in self . descriptors ] , index = index , )
r"""Calculate descriptors over mols.

        Returns:
            pandas.DataFrame
r Calculate descriptors over mols .