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function load_input_signal refactor #42

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function load_input_signal refactor #42

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13 changes: 8 additions & 5 deletions diffpy/snmf/io.py
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Original file line number Diff line number Diff line change
Expand Up @@ -3,6 +3,9 @@
from pathlib import Path
from diffpy.utils.parsers.loaddata import loadData

PDF_FILE_EXTENSIONS = {'.gr', '.cgr'}
DIFFRACTION_FILE_EXTENSIONS = {'.chi', 'iq', 'xye', '.xrd', '.xy'}
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In a much earlier comment, you mentioned that finding the file type by the file extension may not be a good idea. Do you know of any libraries that can do this (such as in diffpy.utils).

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@sbillinge sbillinge Aug 2, 2023 •
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it looks to me as if you are trying to find the data_type from the extension. Is that right or is it teh file-type you are after? LoadData is pretty flexible, it should successfully read all the file extensions you put up there (I am not familiar with .xrd)

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in other words, I don;t think you need to do this.



def initialize_variables(data_input, component_amount, data_type, sparsity=1, smoothness=1e18):
"""Determines the variables and initial values used in the SNMF algorithm.
Expand Down Expand Up @@ -91,18 +94,18 @@ def load_input_signals(file_path=None):

"""

if file_path is None:
directory_path = Path.cwd()
else:
directory_path = Path(file_path)
directory_path = Path(file_path)

values_list = []
grid_list = []
current_grid = []
file_extension = ""
data_type = ""
for item in directory_path.iterdir():
if item.is_file():
file_extension = Path(item).suffix
data = loadData(item.resolve())
if current_grid and current_grid != data[:, 0]:
if len(current_grid) != 0 and (current_grid != data[:, 0]).any():
print(f"{item.name} was ignored as it is not on a compatible grid.")
continue
else:
Expand Down