e626254b74ecb6dc71396c1b35237b53a5e35163,oddt/datasets.py,pdbbind,__init__,#pdbbind#,22

Before Change

                        if not isfile(f):
                            continue
                        self._set_ids[pdbind_set].append(pdbid)
                        self._set_act[pdbind_set].append(float(row[3]))
                    self.sets[pdbind_set] = dict(zip(self._set_ids[pdbind_set],
                                                     self._set_act[pdbind_set]))
            if len(self.sets) == 0:

After Change

                                            "INDEX_%s_data.%i" % (pdbind_set, version))

                if os.path.isfile(csv_file):
                    data = pd.read_csv(csv_file,
                                       sep="\s+",
                                       usecols=[0, 1, 2, 3],
                                       names=["pdbid",
                                              "resolution",
                                              "release_year",
                                              "act"],
                                       comment="//")
                    self._set_ids[pdbind_set] = data["pdbid"].tolist()
                    self._set_act[pdbind_set] = data["act"].tolist()
                    self.sets[pdbind_set] = dict(zip(self._set_ids[pdbind_set],
                                                     self._set_act[pdbind_set]))

Instances