diff --git a/HISTORY.rst b/HISTORY.rst index 113faf4..e11fd00 100644 --- a/HISTORY.rst +++ b/HISTORY.rst @@ -2,6 +2,8 @@ History ======= +2023.7.27.1 -- Removed debug printing. + 2023.7.27 -- Support for .gz and .bz2 files, and multi-structure .xyz files * Handle .gz and .bz2 files for .sdf and .xyz extensions. * Handle multi-structure XYZ files with a blank line between records. diff --git a/read_structure_step/formats/xyz/xyz.py b/read_structure_step/formats/xyz/xyz.py index 3fe38c8..73adb2d 100644 --- a/read_structure_step/formats/xyz/xyz.py +++ b/read_structure_step/formats/xyz/xyz.py @@ -216,8 +216,6 @@ def load_xyz( path = file_name path = path.expanduser().resolve() - print(f"In xyz.py, path = {path}") - # Get the information for progress output, if requested. n_structures = 0 last_line = 0 @@ -258,7 +256,6 @@ def load_xyz( if path.suffix == ".bz2" else open(path, "r") ) as fd: - print(f"{fd=}") lines = [] line_no = 0 for line in fd: @@ -270,7 +267,6 @@ def load_xyz( # End of block, so examine the first lines and see which format file_type = "unknown" n_lines = len(lines) - print(f"Found block of {n_lines} lines") line1 = lines[0].strip() fields1 = line1.split() n_fields1 = len(fields1) @@ -349,10 +345,6 @@ def load_xyz( # Reassemble an input file. input_data = "".join(lines) - print("Input data") - print(input_data) - print("---------") - logger.info(f"Input data:\n\n{input_data}\n") title = lines[1].strip() @@ -470,7 +462,7 @@ def load_xyz( t1 = time.time() rate = structure_no / (t1 - t0) printer( - f" Read {structure_no - n_errors - 1} structures in {t1 - t0:.1f} " + f" Read {structure_no - n_errors} structures in {t1 - t0:.1f} " f"seconds = {rate:.2f} per second" ) if n_errors > 0: