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added initializing block
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diffpy/snmf/stretchednmfapp.py

Lines changed: 11 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,6 +1,9 @@
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import numpy as np
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import argparse
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from pathlib import Path
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from diffpy.snmf.subroutines import lift_data, initialize_components
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from diffpy.snmf.containers import ComponentSignal
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from diffpy.snmf.io import load_input_signals, initialize_variables
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ALLOWED_DATA_TYPES = ['powder_diffraction', 'pd', 'pair_distribution_function', 'pdf']
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@@ -26,4 +29,11 @@ def create_parser():
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def main():
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pass
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args = create_parser()
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if args.input_directory is None:
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args.input_directory = Path.cwd()
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grid, data_input = load_input_signals(args.input_directory)
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lifed_data_input = lift_data(data_input, args.lift_factor)
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variables = initialize_variables(lifed_data_input,args.number_of_components,data_type='pdf')
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components = initialize_components(variables['number_of_components'],variables['number_of_signals'],grid)
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return 0

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