annotate larch_criteria_report.py @ 0:aa9cb2b42741 draft default tip

planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
author muon-spectroscopy-computational-project
date Tue, 14 Nov 2023 15:34:55 +0000
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aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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1 import csv
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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2 import json
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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3 import os
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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4 import sys
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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5 from typing import Iterable
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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6
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7 import matplotlib.pyplot as plt
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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8
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9 import numpy as np
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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12 def plot(variable: str, column: Iterable[float]):
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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13 variable_stripped = variable.strip()
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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14 path = f"plots/{variable_stripped}.png"
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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15 plt.figure(figsize=(8, 4))
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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16 plt.plot(column)
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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17 plt.xlim((0, len(column)))
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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18 ticks, _ = plt.xticks()
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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19 plt.xticks(np.array(ticks).astype("int"))
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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20 plt.xlabel("Dataset number")
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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21 plt.ylabel(variable_stripped)
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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22 plt.savefig(path, format="png")
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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23
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24
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25 def load(filepath: str) -> "list[list[str|float]]":
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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26 with open(filepath) as f:
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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27 reader = csv.reader(f)
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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28 header = next(reader)
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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29 columns = [[h] for h in header]
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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30 for row in reader:
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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31 for i, value in enumerate(row):
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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32 columns[i].append(float(value))
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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33
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34 return columns
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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35
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36
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37 def parse_reports(input_data: str) -> "dict[str, list[float]]":
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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38 # Need to scrape variables from individual files
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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39 report_criteria = input_values["format"]["report_criteria"]
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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40 data = {c["variable"]: [] for c in report_criteria}
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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41 headers = list(data.keys())
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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42 with open("criteria_report.csv", "w") as f_out:
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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43 writer = csv.writer(f_out)
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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44 writer.writerow([f"{h:>12s}" for h in headers])
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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45
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46 if os.path.isdir(input_data):
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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47 input_files = [
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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48 os.path.join(input_data, f) for f in os.listdir(input_data)
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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49 ]
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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50 input_files.sort()
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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51 else:
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52 input_files = input_data.split(",")
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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53
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54 for input_file in input_files:
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55 row = parse_row(data, headers, input_file)
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56 writer.writerow(row)
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57
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58 return data
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59
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60
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61 def parse_row(
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62 data: "dict[str, list[float]]", headers: "list[str]", input_file: str
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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63 ) -> "list[str]":
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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64 row = [None] * len(headers)
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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65 with open(input_file) as f_in:
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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66 line = f_in.readline()
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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67 while line:
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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68 words = line.split()
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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69 try:
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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70 variable = words[0]
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71 value = words[2]
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72 if variable in headers:
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73 row[headers.index(variable)] = f"{value:>12s}"
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74 data[variable].append(float(value))
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75 if all(row):
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76 return row
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77 except IndexError:
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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78 # Not all lines will have potential variables/values
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79 # so just pass
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80 pass
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81
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82 line = f_in.readline()
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83
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84 # Only reach here if we run out of lines without finding a value for each
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85 # variable
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86 raise RuntimeError(
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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87 f"One or more criteria missing, was looking for {headers} but found "
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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88 f"{row}"
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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89 )
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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90
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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91
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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92 if __name__ == "__main__":
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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93 input_data = sys.argv[1]
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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94 input_values = json.load(open(sys.argv[2], "r", encoding="utf-8"))
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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95
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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96 if "report_criteria" in input_values["format"]:
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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97 data = parse_reports(input_data)
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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98 for variable, column in data.items():
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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99 plot(variable, column)
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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100 else:
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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101 columns = load(input_data)
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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102 for column in columns:
aa9cb2b42741 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_criteria_report commit 5be486890442dedfb327289d597e1c8110240735
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103 plot(column[0], column[1:])