Unverified Commit 906613b7 authored by Bharath Ramsundar's avatar Bharath Ramsundar Committed by GitHub
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Merge pull request #2607 from atreyamaj/fixerr

Changed return type to np.ndarray in a few files
parents eb7ac282 1b6a4feb
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+3 −2
Original line number Diff line number Diff line
@@ -985,7 +985,7 @@ class FASTALoader(DataLoader):
      """

      # TODO don't convert all sequences into np array (allow shards)
      def _generate_sequences(fasta_file, header_mark=">") -> np.array:
      def _generate_sequences(fasta_file, header_mark=">") -> np.ndarray:
        """
        Uses a fasta_file to create a numpy array of annotated FASTA-format strings
        """
@@ -1005,7 +1005,8 @@ class FASTALoader(DataLoader):
        sequences = _add_sequence(sequences, sequence)  # Add last sequence
        return sequences

      def _add_sequence(sequences: np.array, sequence: np.array) -> np.array:
      def _add_sequence(sequences: np.ndarray,
                        sequence: np.ndarray) -> np.ndarray:
        # Handle empty sequence
        if sequence is None or len(sequence) <= 0:
          # TODO log attempts to add empty sequences every shard
+1 −1
Original line number Diff line number Diff line
@@ -102,7 +102,7 @@ def write_gnina_conf(protein_filename: str,
      f.write("%s = %s\n" % (str(k), str(v)))


def read_gnina_log(log_file: str) -> np.array:
def read_gnina_log(log_file: str) -> np.ndarray:
  """Read GNINA logfile and get docking scores.

  GNINA writes computed binding affinities to a logfile.