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6 changes: 3 additions & 3 deletions corems/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -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)
8 changes: 4 additions & 4 deletions corems/mass_spectra/output/export.py
Original file line number Diff line number Diff line change
Expand Up @@ -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,
Expand Down Expand Up @@ -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"] = ""

Expand Down Expand Up @@ -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

Expand Down