diff --git a/corems/__init__.py b/corems/__init__.py index 36ed99d7..bfcbadda 100644 --- a/corems/__init__.py +++ b/corems/__init__.py @@ -55,9 +55,9 @@ def chunks(lst, n): yield lst[i : i + n] -def corems_md5(fname): +def corems_sha256(fname): bytes_io = fname.open("rb").read() - md5_returned = hashlib.sha256(bytes_io).hexdigest() + sha256_returned = hashlib.sha256(bytes_io).hexdigest() - return "{}:{}".format("sha256", md5_returned) + return "{}:{}".format("sha256", sha256_returned) diff --git a/corems/mass_spectra/output/export.py b/corems/mass_spectra/output/export.py index b46d3274..becee301 100644 --- a/corems/mass_spectra/output/export.py +++ b/corems/mass_spectra/output/export.py @@ -16,7 +16,7 @@ from openpyxl import load_workbook from pandas import DataFrame, ExcelWriter, read_excel -from corems import __version__, corems_md5 +from corems import __version__, corems_sha256 from corems.encapsulation.output import parameter_to_dict from corems.encapsulation.output.parameter_to_json import ( dump_lcms_settings_json, @@ -507,7 +507,7 @@ def get_calibration_stats(self, gcms, id_label): calibration_parameters["calibration_rt_ri_pairs_ref"] = gcms.ri_pairs_ref calibration_parameters["data_url"] = str(gcms.cal_file_path) - calibration_parameters["has_input"] = id_label + corems_md5(gcms.cal_file_path) + calibration_parameters["has_input"] = id_label + corems_sha256(gcms.cal_file_path) calibration_parameters["data_name"] = str(gcms.cal_file_path.stem) calibration_parameters["calibration_method"] = "" @@ -569,11 +569,11 @@ def get_data_metadata(self, gcms, id_label, output_path): data_metadata["data_name"].append(gcms.sample_name) data_metadata["input_data_url"].append(str(gcms.file_location)) - data_metadata["has_input"].append(id_label + corems_md5(gcms.file_location)) + data_metadata["has_input"].append(id_label + corems_sha256(gcms.file_location)) data_metadata["output_data_name"] = str(output_path.stem) data_metadata["output_data_url"] = str(output_path) - data_metadata["has_output"] = id_label + corems_md5(output_path) + data_metadata["has_output"] = id_label + corems_sha256(output_path) return data_metadata