konstantin.bosbach/fsl_mrs_mce
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Changed print statement and added commentary

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konstantin.bosbach
2021-03-26 10:50:57 +01:00
parent 23587b775e
commit b599062322
1 changed files with 6 additions and 2 deletions
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8
fsl_mrs_mce/mc_sim.py
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@@ -10,7 +10,9 @@ import pandas as pd
def get_convergence( def get_convergence(
output_file_paths, molecule, crit_mean=0.01, crit_std=0.10 output_file_paths, molecule, crit_mean=0.01, crit_std=0.10
): ):
"""Function checks if last two files contain converging datasets.""" """Function checks if data results from last two
files contain are within convergence criteria.
Returns Boolean"""
if len(output_file_paths) < 2: if len(output_file_paths) < 2:
print("One iteration, therefore no convergence.") print("One iteration, therefore no convergence.")
@@ -30,6 +32,7 @@ def get_convergence(
older_std = older_fit_results[molecule].std() older_std = older_fit_results[molecule].std()
measure_std = abs(abs(np.abs(newer_std) - abs(older_std))/norm) measure_std = abs(abs(np.abs(newer_std) - abs(older_std))/norm)
# check if results within convergence criteria
if measure_mean <= crit_mean: if measure_mean <= crit_mean:
if measure_std <= crit_std: if measure_std <= crit_std:
convergence = True convergence = True
@@ -39,7 +42,8 @@ def get_convergence(
print( print(
"Convergence result for ", output_file_paths[-1], " and ", "Convergence result for ", output_file_paths[-1], " and ",
output_file_paths[-2], "\n\t\t\t", output_file_paths[-2], "\n\t\t\t",
measure_mean, measure_std, "convergence: ", str(convergence) round(measure_mean, 4), round(measure_std, 4),
"convergence: ", str(convergence)
) )
return convergence return convergence