annotate COBRAxy/marea.py @ 158:30acaa01df61 draft

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author francesco_lapi
date Tue, 12 Nov 2024 14:19:01 +0000
parents 8e3cbf68cdc4
children
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1 from __future__ import division
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2 import csv
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3 from enum import Enum
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4 import re
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5 import sys
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luca_milaz
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6 import numpy as np
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luca_milaz
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7 import pandas as pd
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luca_milaz
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8 import itertools as it
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9 import scipy.stats as st
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10 import lxml.etree as ET
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11 import math
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12 import utils.general_utils as utils
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13 from PIL import Image
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14 import os
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15 import argparse
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16 import pyvips
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17 from typing import Tuple, Union, Optional, List, Dict
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18 import copy
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19
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20 ERRORS = []
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21 ########################## argparse ##########################################
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22 ARGS :argparse.Namespace
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23 def process_args(args:List[str] = None) -> argparse.Namespace:
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24 """
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25 Interfaces the script of a module with its frontend, making the user's choices for various parameters available as values in code.
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26
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27 Args:
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28 args : Always obtained (in file) from sys.argv
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29
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30 Returns:
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31 Namespace : An object containing the parsed arguments
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32 """
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33 parser = argparse.ArgumentParser(
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34 usage = "%(prog)s [options]",
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35 description = "process some value's genes to create a comparison's map.")
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36
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37 #General:
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38 parser.add_argument(
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39 '-td', '--tool_dir',
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40 type = str,
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41 required = True,
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42 help = 'your tool directory')
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43
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44 parser.add_argument('-on', '--control', type = str)
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45 parser.add_argument('-ol', '--out_log', help = "Output log")
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46
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47 #Computation details:
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48 parser.add_argument(
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49 '-co', '--comparison',
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50 type = str,
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51 default = '1vs1',
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52 choices = ['manyvsmany', 'onevsrest', 'onevsmany'])
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53
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54 parser.add_argument(
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55 '-pv' ,'--pValue',
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56 type = float,
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57 default = 0.1,
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58 help = 'P-Value threshold (default: %(default)s)')
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59
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60 parser.add_argument(
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61 '-fc', '--fChange',
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62 type = float,
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63 default = 1.5,
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64 help = 'Fold-Change threshold (default: %(default)s)')
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65
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66 parser.add_argument(
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67 "-ne", "--net",
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68 type = utils.Bool("net"), default = False,
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69 help = "choose if you want net enrichment for RPS")
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70
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71 parser.add_argument(
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72 '-op', '--option',
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73 type = str,
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74 choices = ['datasets', 'dataset_class'],
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75 help='dataset or dataset and class')
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76
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77 #RAS:
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78 parser.add_argument(
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79 "-ra", "--using_RAS",
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80 type = utils.Bool("using_RAS"), default = True,
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81 help = "choose whether to use RAS datasets.")
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82
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83 parser.add_argument(
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84 '-id', '--input_data',
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85 type = str,
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86 help = 'input dataset')
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87
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88 parser.add_argument(
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89 '-ic', '--input_class',
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90 type = str,
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91 help = 'sample group specification')
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92
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93 parser.add_argument(
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94 '-ids', '--input_datas',
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95 type = str,
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96 nargs = '+',
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97 help = 'input datasets')
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98
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99 parser.add_argument(
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100 '-na', '--names',
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101 type = str,
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102 nargs = '+',
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103 help = 'input names')
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104
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105 #RPS:
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106 parser.add_argument(
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107 "-rp", "--using_RPS",
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108 type = utils.Bool("using_RPS"), default = False,
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109 help = "choose whether to use RPS datasets.")
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110
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111 parser.add_argument(
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112 '-idr', '--input_data_rps',
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113 type = str,
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114 help = 'input dataset rps')
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115
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116 parser.add_argument(
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117 '-icr', '--input_class_rps',
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118 type = str,
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119 help = 'sample group specification rps')
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120
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121 parser.add_argument(
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122 '-idsr', '--input_datas_rps',
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123 type = str,
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124 nargs = '+',
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125 help = 'input datasets rps')
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126
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127 parser.add_argument(
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128 '-nar', '--names_rps',
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129 type = str,
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130 nargs = '+',
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131 help = 'input names rps')
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132
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133 #Output:
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134 parser.add_argument(
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135 "-gs", "--generate_svg",
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136 type = utils.Bool("generate_svg"), default = True,
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137 help = "choose whether to use RAS datasets.")
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138
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139 parser.add_argument(
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140 "-gp", "--generate_pdf",
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141 type = utils.Bool("generate_pdf"), default = True,
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142 help = "choose whether to use RAS datasets.")
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143
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144 parser.add_argument(
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145 '-cm', '--custom_map',
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146 type = str,
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147 help='custom map to use')
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148
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149 parser.add_argument(
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150 '-idop', '--output_path',
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151 type = str,
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152 default='result',
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153 help = 'output path for maps')
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154
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155 parser.add_argument(
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156 '-mc', '--choice_map',
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157 type = utils.Model, default = utils.Model.HMRcore,
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158 choices = [utils.Model.HMRcore, utils.Model.ENGRO2, utils.Model.Custom])
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159
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160 args :argparse.Namespace = parser.parse_args(args)
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161 if args.using_RAS and not args.using_RPS: args.net = False
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162
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163 return args
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164
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165 ############################ dataset input ####################################
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166 def read_dataset(data :str, name :str) -> pd.DataFrame:
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167 """
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168 Tries to read the dataset from its path (data) as a tsv and turns it into a DataFrame.
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169
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170 Args:
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171 data : filepath of a dataset (from frontend input params or literals upon calling)
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172 name : name associated with the dataset (from frontend input params or literals upon calling)
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173
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174 Returns:
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175 pd.DataFrame : dataset in a runtime operable shape
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176
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177 Raises:
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178 sys.exit : if there's no data (pd.errors.EmptyDataError) or if the dataset has less than 2 columns
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179 """
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180 try:
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181 dataset = pd.read_csv(data, sep = '\t', header = 0, engine='python')
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182 except pd.errors.EmptyDataError:
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183 sys.exit('Execution aborted: wrong format of ' + name + '\n')
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184 if len(dataset.columns) < 2:
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185 sys.exit('Execution aborted: wrong format of ' + name + '\n')
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186 return dataset
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187
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188 ############################ dataset name #####################################
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189 def name_dataset(name_data :str, count :int) -> str:
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190 """
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191 Produces a unique name for a dataset based on what was provided by the user. The default name for any dataset is "Dataset", thus if the user didn't change it this function appends f"_{count}" to make it unique.
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192
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193 Args:
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194 name_data : name associated with the dataset (from frontend input params)
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195 count : counter from 1 to make these names unique (external)
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196
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197 Returns:
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parents:
diff changeset
198 str : the name made unique
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luca_milaz
parents:
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199 """
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luca_milaz
parents:
diff changeset
200 if str(name_data) == 'Dataset':
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luca_milaz
parents:
diff changeset
201 return str(name_data) + '_' + str(count)
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luca_milaz
parents:
diff changeset
202 else:
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luca_milaz
parents:
diff changeset
203 return str(name_data)
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luca_milaz
parents:
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204
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parents:
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205 ############################ map_methods ######################################
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parents:
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206 FoldChange = Union[float, int, str] # Union[float, Literal[0, "-INF", "INF"]]
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parents:
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207 def fold_change(avg1 :float, avg2 :float) -> FoldChange:
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parents:
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208 """
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luca_milaz
parents:
diff changeset
209 Calculates the fold change between two gene expression values.
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luca_milaz
parents:
diff changeset
210
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parents:
diff changeset
211 Args:
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luca_milaz
parents:
diff changeset
212 avg1 : average expression value from one dataset avg2 : average expression value from the other dataset
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luca_milaz
parents:
diff changeset
213
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parents:
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214 Returns:
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parents:
diff changeset
215 FoldChange :
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luca_milaz
parents:
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216 0 : when both input values are 0
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luca_milaz
parents:
diff changeset
217 "-INF" : when avg1 is 0
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luca_milaz
parents:
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218 "INF" : when avg2 is 0
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luca_milaz
parents:
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219 float : for any other combination of values
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luca_milaz
parents:
diff changeset
220 """
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luca_milaz
parents:
diff changeset
221 if avg1 == 0 and avg2 == 0:
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luca_milaz
parents:
diff changeset
222 return 0
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luca_milaz
parents:
diff changeset
223 elif avg1 == 0:
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luca_milaz
parents:
diff changeset
224 return '-INF'
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luca_milaz
parents:
diff changeset
225 elif avg2 == 0:
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parents:
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226 return 'INF'
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227 else: # (threshold_F_C - 1) / (abs(threshold_F_C) + 1) con threshold_F_C > 1
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228 return (avg1 - avg2) / (abs(avg1) + abs(avg2))
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parents:
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229
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230 def fix_style(l :str, col :Optional[str], width :str, dash :str) -> str:
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luca_milaz
parents:
diff changeset
231 """
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luca_milaz
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232 Produces a "fixed" style string to assign to a reaction arrow in the SVG map, assigning style properties to the corresponding values passed as input params.
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parents:
diff changeset
233
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234 Args:
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luca_milaz
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235 l : current style string of an SVG element
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luca_milaz
parents:
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236 col : new value for the "stroke" style property
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luca_milaz
parents:
diff changeset
237 width : new value for the "stroke-width" style property
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luca_milaz
parents:
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238 dash : new value for the "stroke-dasharray" style property
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luca_milaz
parents:
diff changeset
239
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240 Returns:
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parents:
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241 str : the fixed style string
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luca_milaz
parents:
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242 """
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luca_milaz
parents:
diff changeset
243 tmp = l.split(';')
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luca_milaz
parents:
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244 flag_col = False
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luca_milaz
parents:
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245 flag_width = False
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luca_milaz
parents:
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246 flag_dash = False
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luca_milaz
parents:
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247 for i in range(len(tmp)):
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luca_milaz
parents:
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248 if tmp[i].startswith('stroke:'):
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luca_milaz
parents:
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249 tmp[i] = 'stroke:' + col
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luca_milaz
parents:
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250 flag_col = True
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luca_milaz
parents:
diff changeset
251 if tmp[i].startswith('stroke-width:'):
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luca_milaz
parents:
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252 tmp[i] = 'stroke-width:' + width
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luca_milaz
parents:
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253 flag_width = True
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luca_milaz
parents:
diff changeset
254 if tmp[i].startswith('stroke-dasharray:'):
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luca_milaz
parents:
diff changeset
255 tmp[i] = 'stroke-dasharray:' + dash
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luca_milaz
parents:
diff changeset
256 flag_dash = True
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luca_milaz
parents:
diff changeset
257 if not flag_col:
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luca_milaz
parents:
diff changeset
258 tmp.append('stroke:' + col)
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luca_milaz
parents:
diff changeset
259 if not flag_width:
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luca_milaz
parents:
diff changeset
260 tmp.append('stroke-width:' + width)
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luca_milaz
parents:
diff changeset
261 if not flag_dash:
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luca_milaz
parents:
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262 tmp.append('stroke-dasharray:' + dash)
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luca_milaz
parents:
diff changeset
263 return ';'.join(tmp)
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luca_milaz
parents:
diff changeset
264
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luca_milaz
parents:
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265 # The type of d values is collapsed, losing precision, because the dict containst lists instead of tuples, please fix!
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luca_milaz
parents:
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266 def fix_map(d :Dict[str, List[Union[float, FoldChange]]], core_map :ET.ElementTree, threshold_P_V :float, threshold_F_C :float, max_z_score :float) -> ET.ElementTree:
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luca_milaz
parents:
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267 """
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luca_milaz
parents:
diff changeset
268 Edits the selected SVG map based on the p-value and fold change data (d) and some significance thresholds also passed as inputs.
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parents:
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269
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parents:
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270 Args:
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luca_milaz
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271 d : dictionary mapping a p-value and a fold-change value (values) to each reaction ID as encoded in the SVG map (keys)
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parents:
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272 core_map : SVG map to modify
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luca_milaz
parents:
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273 threshold_P_V : threshold for a p-value to be considered significant
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luca_milaz
parents:
diff changeset
274 threshold_F_C : threshold for a fold change value to be considered significant
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luca_milaz
parents:
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275 max_z_score : highest z-score (absolute value)
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luca_milaz
parents:
diff changeset
276
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277 Returns:
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parents:
diff changeset
278 ET.ElementTree : the modified core_map
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luca_milaz
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diff changeset
279
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luca_milaz
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280 Side effects:
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luca_milaz
parents:
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281 core_map : mut
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luca_milaz
parents:
diff changeset
282 """
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luca_milaz
parents:
diff changeset
283 maxT = 12
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luca_milaz
parents:
diff changeset
284 minT = 2
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luca_milaz
parents:
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285 grey = '#BEBEBE'
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luca_milaz
parents:
diff changeset
286 blue = '#6495ed'
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luca_milaz
parents:
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287 red = '#ecac68'
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luca_milaz
parents:
diff changeset
288 for el in core_map.iter():
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luca_milaz
parents:
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289 el_id = str(el.get('id'))
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luca_milaz
parents:
diff changeset
290 if el_id.startswith('R_'):
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luca_milaz
parents:
diff changeset
291 tmp = d.get(el_id[2:])
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luca_milaz
parents:
diff changeset
292 if tmp != None:
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luca_milaz
parents:
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293 p_val :float = tmp[0]
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luca_milaz
parents:
diff changeset
294 f_c = tmp[1]
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luca_milaz
parents:
diff changeset
295 z_score = tmp[2]
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luca_milaz
parents:
diff changeset
296 if p_val < threshold_P_V:
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luca_milaz
parents:
diff changeset
297 if not isinstance(f_c, str):
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luca_milaz
parents:
diff changeset
298 if abs(f_c) < ((threshold_F_C - 1) / (abs(threshold_F_C) + 1)): #
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luca_milaz
parents:
diff changeset
299 col = grey
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luca_milaz
parents:
diff changeset
300 width = str(minT)
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luca_milaz
parents:
diff changeset
301 else:
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luca_milaz
parents:
diff changeset
302 if f_c < 0:
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luca_milaz
parents:
diff changeset
303 col = blue
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luca_milaz
parents:
diff changeset
304 elif f_c > 0:
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luca_milaz
parents:
diff changeset
305 col = red
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luca_milaz
parents:
diff changeset
306 width = str(max((abs(z_score) * maxT) / max_z_score, minT))
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luca_milaz
parents:
diff changeset
307 else:
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luca_milaz
parents:
diff changeset
308 if f_c == '-INF':
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luca_milaz
parents:
diff changeset
309 col = blue
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luca_milaz
parents:
diff changeset
310 elif f_c == 'INF':
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luca_milaz
parents:
diff changeset
311 col = red
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luca_milaz
parents:
diff changeset
312 width = str(maxT)
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luca_milaz
parents:
diff changeset
313 dash = 'none'
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luca_milaz
parents:
diff changeset
314 else:
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luca_milaz
parents:
diff changeset
315 dash = '5,5'
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luca_milaz
parents:
diff changeset
316 col = grey
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luca_milaz
parents:
diff changeset
317 width = str(minT)
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luca_milaz
parents:
diff changeset
318 el.set('style', fix_style(el.get('style', ""), col, width, dash))
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luca_milaz
parents:
diff changeset
319 return core_map
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luca_milaz
parents:
diff changeset
320
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luca_milaz
parents:
diff changeset
321 def getElementById(reactionId :str, metabMap :ET.ElementTree) -> utils.Result[ET.Element, utils.Result.ResultErr]:
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luca_milaz
parents:
diff changeset
322 """
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luca_milaz
parents:
diff changeset
323 Finds any element in the given map with the given ID. ID uniqueness in an svg file is recommended but
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luca_milaz
parents:
diff changeset
324 not enforced, if more than one element with the exact ID is found only the first will be returned.
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luca_milaz
parents:
diff changeset
325
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luca_milaz
parents:
diff changeset
326 Args:
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luca_milaz
parents:
diff changeset
327 reactionId (str): exact ID of the requested element.
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luca_milaz
parents:
diff changeset
328 metabMap (ET.ElementTree): metabolic map containing the element.
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luca_milaz
parents:
diff changeset
329
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parents:
diff changeset
330 Returns:
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luca_milaz
parents:
diff changeset
331 utils.Result[ET.Element, ResultErr]: result of the search, either the first match found or a ResultErr.
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luca_milaz
parents:
diff changeset
332 """
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luca_milaz
parents:
diff changeset
333 return utils.Result.Ok(
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luca_milaz
parents:
diff changeset
334 f"//*[@id=\"{reactionId}\"]").map(
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
335 lambda xPath : metabMap.xpath(xPath)[0]).mapErr(
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luca_milaz
parents:
diff changeset
336 lambda _ : utils.Result.ResultErr(f"No elements with ID \"{reactionId}\" found in map"))
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luca_milaz
parents:
diff changeset
337 # ^^^ we shamelessly ignore the contents of the IndexError, it offers nothing to the user.
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luca_milaz
parents:
diff changeset
338
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luca_milaz
parents:
diff changeset
339 def styleMapElement(element :ET.Element, styleStr :str) -> None:
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luca_milaz
parents:
diff changeset
340 currentStyles :str = element.get("style", "")
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luca_milaz
parents:
diff changeset
341 if re.search(r";stroke:[^;]+;stroke-width:[^;]+;stroke-dasharray:[^;]+$", currentStyles):
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luca_milaz
parents:
diff changeset
342 currentStyles = ';'.join(currentStyles.split(';')[:-3])
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luca_milaz
parents:
diff changeset
343
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luca_milaz
parents:
diff changeset
344 element.set("style", currentStyles + styleStr)
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luca_milaz
parents:
diff changeset
345
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luca_milaz
parents:
diff changeset
346 class ReactionDirection(Enum):
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luca_milaz
parents:
diff changeset
347 Unknown = ""
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luca_milaz
parents:
diff changeset
348 Direct = "_F"
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luca_milaz
parents:
diff changeset
349 Inverse = "_B"
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luca_milaz
parents:
diff changeset
350
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luca_milaz
parents:
diff changeset
351 @classmethod
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luca_milaz
parents:
diff changeset
352 def fromDir(cls, s :str) -> "ReactionDirection":
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luca_milaz
parents:
diff changeset
353 # vvv as long as there's so few variants I actually condone the if spam:
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luca_milaz
parents:
diff changeset
354 if s == ReactionDirection.Direct.value: return ReactionDirection.Direct
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luca_milaz
parents:
diff changeset
355 if s == ReactionDirection.Inverse.value: return ReactionDirection.Inverse
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luca_milaz
parents:
diff changeset
356 return ReactionDirection.Unknown
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luca_milaz
parents:
diff changeset
357
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luca_milaz
parents:
diff changeset
358 @classmethod
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luca_milaz
parents:
diff changeset
359 def fromReactionId(cls, reactionId :str) -> "ReactionDirection":
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luca_milaz
parents:
diff changeset
360 return ReactionDirection.fromDir(reactionId[-2:])
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luca_milaz
parents:
diff changeset
361
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luca_milaz
parents:
diff changeset
362 def getArrowBodyElementId(reactionId :str) -> str:
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luca_milaz
parents:
diff changeset
363 if reactionId.endswith("_RV"): reactionId = reactionId[:-3] #TODO: standardize _RV
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luca_milaz
parents:
diff changeset
364 elif ReactionDirection.fromReactionId(reactionId) is not ReactionDirection.Unknown: reactionId = reactionId[:-2]
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luca_milaz
parents:
diff changeset
365 return f"R_{reactionId}"
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luca_milaz
parents:
diff changeset
366
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luca_milaz
parents:
diff changeset
367 def getArrowHeadElementId(reactionId :str) -> Tuple[str, str]:
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luca_milaz
parents:
diff changeset
368 """
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luca_milaz
parents:
diff changeset
369 We attempt extracting the direction information from the provided reaction ID, if unsuccessful we provide the IDs of both directions.
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luca_milaz
parents:
diff changeset
370
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luca_milaz
parents:
diff changeset
371 Args:
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luca_milaz
parents:
diff changeset
372 reactionId : the provided reaction ID.
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luca_milaz
parents:
diff changeset
373
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luca_milaz
parents:
diff changeset
374 Returns:
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luca_milaz
parents:
diff changeset
375 Tuple[str, str]: either a single str ID for the correct arrow head followed by an empty string or both options to try.
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luca_milaz
parents:
diff changeset
376 """
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luca_milaz
parents:
diff changeset
377 if reactionId.endswith("_RV"): reactionId = reactionId[:-3] #TODO: standardize _RV
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luca_milaz
parents:
diff changeset
378 elif ReactionDirection.fromReactionId(reactionId) is not ReactionDirection.Unknown: return reactionId[:-3:-1] + reactionId[:-2], ""
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luca_milaz
parents:
diff changeset
379 return f"F_{reactionId}", f"B_{reactionId}"
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luca_milaz
parents:
diff changeset
380
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luca_milaz
parents:
diff changeset
381 class ArrowColor(Enum):
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luca_milaz
parents:
diff changeset
382 """
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luca_milaz
parents:
diff changeset
383 Encodes possible arrow colors based on their meaning in the enrichment process.
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luca_milaz
parents:
diff changeset
384 """
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luca_milaz
parents:
diff changeset
385 Invalid = "#BEBEBE" # gray, fold-change under treshold
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luca_milaz
parents:
diff changeset
386 UpRegulated = "#ecac68" # red, up-regulated reaction
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luca_milaz
parents:
diff changeset
387 DownRegulated = "#6495ed" # blue, down-regulated reaction
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luca_milaz
parents:
diff changeset
388
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
389 UpRegulatedInv = "#FF0000"
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luca_milaz
parents:
diff changeset
390 # ^^^ different shade of red (actually orange), up-regulated net value for a reversible reaction with
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
391 # conflicting enrichment in the two directions.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
392
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
393 DownRegulatedInv = "#0000FF"
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
394 # ^^^ different shade of blue (actually purple), down-regulated net value for a reversible reaction with
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
395 # conflicting enrichment in the two directions.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
396
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luca_milaz
parents:
diff changeset
397 @classmethod
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
398 def fromFoldChangeSign(cls, foldChange :float, *, useAltColor = False) -> "ArrowColor":
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luca_milaz
parents:
diff changeset
399 colors = (cls.DownRegulated, cls.DownRegulatedInv) if foldChange < 0 else (cls.UpRegulated, cls.UpRegulatedInv)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
400 return colors[useAltColor]
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luca_milaz
parents:
diff changeset
401
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
402 def __str__(self) -> str: return self.value
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luca_milaz
parents:
diff changeset
403
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
404 class Arrow:
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luca_milaz
parents:
diff changeset
405 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
406 Models the properties of a reaction arrow that change based on enrichment.
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luca_milaz
parents:
diff changeset
407 """
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luca_milaz
parents:
diff changeset
408 MIN_W = 2
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luca_milaz
parents:
diff changeset
409 MAX_W = 12
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luca_milaz
parents:
diff changeset
410
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
411 def __init__(self, width :int, col: ArrowColor, *, isDashed = False) -> None:
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luca_milaz
parents:
diff changeset
412 """
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luca_milaz
parents:
diff changeset
413 (Private) Initializes an instance of Arrow.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
414
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
415 Args:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
416 width : width of the arrow, ideally to be kept within Arrow.MIN_W and Arrow.MAX_W (not enforced).
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
417 col : color of the arrow.
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luca_milaz
parents:
diff changeset
418 isDashed : whether the arrow should be dashed, meaning the associated pValue resulted not significant.
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luca_milaz
parents:
diff changeset
419
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
420 Returns:
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luca_milaz
parents:
diff changeset
421 None : practically, a Arrow instance.
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luca_milaz
parents:
diff changeset
422 """
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luca_milaz
parents:
diff changeset
423 self.w = width
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luca_milaz
parents:
diff changeset
424 self.col = col
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luca_milaz
parents:
diff changeset
425 self.dash = isDashed
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luca_milaz
parents:
diff changeset
426
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luca_milaz
parents:
diff changeset
427 def applyTo(self, reactionId :str, metabMap :ET.ElementTree, styleStr :str) -> None:
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luca_milaz
parents:
diff changeset
428 if getElementById(reactionId, metabMap).map(lambda el : styleMapElement(el, styleStr)).isErr:
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luca_milaz
parents:
diff changeset
429 ERRORS.append(reactionId)
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luca_milaz
parents:
diff changeset
430
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
431 def styleReactionElements(self, metabMap :ET.ElementTree, reactionId :str, *, mindReactionDir = True) -> None:
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luca_milaz
parents:
diff changeset
432 # If We're dealing with RAS data or in general don't care about the direction of the reaction we only style the arrow body
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luca_milaz
parents:
diff changeset
433 if not mindReactionDir:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
434 return self.applyTo(getArrowBodyElementId(reactionId), metabMap, self.toStyleStr())
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luca_milaz
parents:
diff changeset
435
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
436 # Now we style the arrow head(s):
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luca_milaz
parents:
diff changeset
437 idOpt1, idOpt2 = getArrowHeadElementId(reactionId)
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luca_milaz
parents:
diff changeset
438 self.applyTo(idOpt1, metabMap, self.toStyleStr(downSizedForTips = True))
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
439 if idOpt2: self.applyTo(idOpt2, metabMap, self.toStyleStr(downSizedForTips = True))
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
440
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
441 def getMapReactionId(self, reactionId :str, mindReactionDir :bool) -> str:
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luca_milaz
parents:
diff changeset
442 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
443 Computes the reaction ID as encoded in the map for a given reaction ID from the dataset.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
444
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
445 Args:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
446 reactionId: the reaction ID, as encoded in the dataset.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
447 mindReactionDir: if True forward (F_) and backward (B_) directions will be encoded in the result.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
448
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
449 Returns:
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luca_milaz
parents:
diff changeset
450 str : the ID of an arrow's body or tips in the map.
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luca_milaz
parents:
diff changeset
451 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
452 # we assume the reactionIds also don't encode reaction dir if they don't mind it when styling the map.
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luca_milaz
parents:
diff changeset
453 if not mindReactionDir: return "R_" + reactionId
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
454
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
455 #TODO: this is clearly something we need to make consistent in RPS
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luca_milaz
parents:
diff changeset
456 return (reactionId[:-3:-1] + reactionId[:-2]) if reactionId[:-2] in ["_F", "_B"] else f"F_{reactionId}" # "Pyr_F" --> "F_Pyr"
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
457
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
458 def toStyleStr(self, *, downSizedForTips = False) -> str:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
459 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
460 Collapses the styles of this Arrow into a str, ready to be applied as part of the "style" property on an svg element.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
461
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
462 Returns:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
463 str : the styles string.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
464 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
465 width = self.w
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
466 if downSizedForTips: width *= 0.8
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luca_milaz
parents:
diff changeset
467 return f";stroke:{self.col};stroke-width:{width};stroke-dasharray:{'5,5' if self.dash else 'none'}"
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
468
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
469 # vvv These constants could be inside the class itself a static properties, but python
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
470 # was built by brainless organisms so here we are!
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luca_milaz
parents:
diff changeset
471 INVALID_ARROW = Arrow(Arrow.MIN_W, ArrowColor.Invalid)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
472 INSIGNIFICANT_ARROW = Arrow(Arrow.MIN_W, ArrowColor.Invalid, isDashed = True)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
473
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
474 def applyRpsEnrichmentToMap(rpsEnrichmentRes :Dict[str, Union[Tuple[float, FoldChange], Tuple[float, FoldChange, float, float]]], metabMap :ET.ElementTree, maxNumericZScore :float) -> None:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
475 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
476 Applies RPS enrichment results to the provided metabolic map.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
477
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
478 Args:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
479 rpsEnrichmentRes : RPS enrichment results.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
480 metabMap : the metabolic map to edit.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
481 maxNumericZScore : biggest finite z-score value found.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
482
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
483 Side effects:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
484 metabMap : mut
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
485
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
486 Returns:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
487 None
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
488 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
489 for reactionId, values in rpsEnrichmentRes.items():
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luca_milaz
parents:
diff changeset
490 pValue = values[0]
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
491 foldChange = values[1]
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
492 z_score = values[2]
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
493
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
494 if isinstance(foldChange, str): foldChange = float(foldChange)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
495 if pValue >= ARGS.pValue: # pValue above tresh: dashed arrow
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
496 INSIGNIFICANT_ARROW.styleReactionElements(metabMap, reactionId)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
497 continue
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
498
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
499 if abs(foldChange) < (ARGS.fChange - 1) / (abs(ARGS.fChange) + 1):
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
500 INVALID_ARROW.styleReactionElements(metabMap, reactionId)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
501 continue
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
502
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
503 width = Arrow.MAX_W
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
504 if not math.isinf(foldChange):
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
505 try: width = max(abs(z_score * Arrow.MAX_W) / maxNumericZScore, Arrow.MIN_W)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
506 except ZeroDivisionError: pass
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
507
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
508 if not reactionId.endswith("_RV"): # RV stands for reversible reactions
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
509 Arrow(width, ArrowColor.fromFoldChangeSign(foldChange)).styleReactionElements(metabMap, reactionId)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
510 continue
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
511
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
512 reactionId = reactionId[:-3] # Remove "_RV"
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
513
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
514 inversionScore = (values[3] < 0) + (values[4] < 0) # Compacts the signs of averages into 1 easy to check score
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
515 if inversionScore == 2: foldChange *= -1
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
516 # ^^^ Style the inverse direction with the opposite sign netValue
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
517
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
518 # If the score is 1 (opposite signs) we use alternative colors vvv
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
519 arrow = Arrow(width, ArrowColor.fromFoldChangeSign(foldChange, useAltColor = inversionScore == 1))
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
520
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
521 # vvv These 2 if statements can both be true and can both happen
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
522 if ARGS.net: # style arrow head(s):
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
523 arrow.styleReactionElements(metabMap, reactionId + ("_B" if inversionScore == 2 else "_F"))
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
524
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
525 if not ARGS.using_RAS: # style arrow body
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
526 arrow.styleReactionElements(metabMap, reactionId, mindReactionDir = False)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
527
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
528 ############################ split class ######################################
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
529 def split_class(classes :pd.DataFrame, resolve_rules :Dict[str, List[float]]) -> Dict[str, List[List[float]]]:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
530 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
531 Generates a :dict that groups together data from a :DataFrame based on classes the data is related to.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
532
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
533 Args:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
534 classes : a :DataFrame of only string values, containing class information (rows) and keys to query the resolve_rules :dict
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
535 resolve_rules : a :dict containing :float data
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
536
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
537 Returns:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
538 dict : the dict with data grouped by class
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
539
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
540 Side effects:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
541 classes : mut
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
542 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
543 class_pat :Dict[str, List[List[float]]] = {}
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
544 for i in range(len(classes)):
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
545 classe :str = classes.iloc[i, 1]
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
546 if pd.isnull(classe): continue
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
547
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
548 l :List[List[float]] = []
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
549 for j in range(i, len(classes)):
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
550 if classes.iloc[j, 1] == classe:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
551 pat_id :str = classes.iloc[j, 0]
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
552 tmp = resolve_rules.get(pat_id, None)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
553 if tmp != None:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
554 l.append(tmp)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
555 classes.iloc[j, 1] = None
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
556
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
557 if l:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
558 class_pat[classe] = list(map(list, zip(*l)))
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
559 continue
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
560
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
561 utils.logWarning(
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
562 f"Warning: no sample found in class \"{classe}\", the class has been disregarded", ARGS.out_log)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
563
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
564 return class_pat
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
565
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
566 ############################ conversion ##############################################
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
567 #conversion from svg to png
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
568 def svg_to_png_with_background(svg_path :utils.FilePath, png_path :utils.FilePath, dpi :int = 72, scale :int = 1, size :Optional[float] = None) -> None:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
569 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
570 Internal utility to convert an SVG to PNG (forced opaque) to aid in PDF conversion.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
571
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
572 Args:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
573 svg_path : path to SVG file
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
574 png_path : path for new PNG file
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
575 dpi : dots per inch of the generated PNG
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
576 scale : scaling factor for the generated PNG, computed internally when a size is provided
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
577 size : final effective width of the generated PNG
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
578
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
579 Returns:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
580 None
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
581 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
582 if size:
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luca_milaz
parents:
diff changeset
583 image = pyvips.Image.new_from_file(svg_path.show(), dpi=dpi, scale=1)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
584 scale = size / image.width
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luca_milaz
parents:
diff changeset
585 image = image.resize(scale)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
586 else:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
587 image = pyvips.Image.new_from_file(svg_path.show(), dpi=dpi, scale=scale)
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luca_milaz
parents:
diff changeset
588
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
589 white_background = pyvips.Image.black(image.width, image.height).new_from_image([255, 255, 255])
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luca_milaz
parents:
diff changeset
590 white_background = white_background.affine([scale, 0, 0, scale])
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luca_milaz
parents:
diff changeset
591
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
592 if white_background.bands != image.bands:
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luca_milaz
parents:
diff changeset
593 white_background = white_background.extract_band(0)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
594
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
595 composite_image = white_background.composite2(image, 'over')
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
596 composite_image.write_to_file(png_path.show())
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
597
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
598 #funzione unica, lascio fuori i file e li passo in input
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
599 #conversion from png to pdf
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
600 def convert_png_to_pdf(png_file :utils.FilePath, pdf_file :utils.FilePath) -> None:
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luca_milaz
parents:
diff changeset
601 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
602 Internal utility to convert a PNG to PDF to aid from SVG conversion.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
603
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
604 Args:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
605 png_file : path to PNG file
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
606 pdf_file : path to new PDF file
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
607
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
608 Returns:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
609 None
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
610 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
611 image = Image.open(png_file.show())
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
612 image = image.convert("RGB")
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
613 image.save(pdf_file.show(), "PDF", resolution=100.0)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
614
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
615 #function called to reduce redundancy in the code
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
616 def convert_to_pdf(file_svg :utils.FilePath, file_png :utils.FilePath, file_pdf :utils.FilePath) -> None:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
617 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
618 Converts the SVG map at the provided path to PDF.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
619
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
620 Args:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
621 file_svg : path to SVG file
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
622 file_png : path to PNG file
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
623 file_pdf : path to new PDF file
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
624
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
625 Returns:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
626 None
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
627 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
628 svg_to_png_with_background(file_svg, file_png)
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luca_milaz
parents:
diff changeset
629 try:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
630 convert_png_to_pdf(file_png, file_pdf)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
631 print(f'PDF file {file_pdf.filePath} successfully generated.')
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
632
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
633 except Exception as e:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
634 raise utils.DataErr(file_pdf.show(), f'Error generating PDF file: {e}')
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
635
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
636 ############################ map ##############################################
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
637 def buildOutputPath(dataset1Name :str, dataset2Name = "rest", *, details = "", ext :utils.FileFormat) -> utils.FilePath:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
638 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
639 Builds a FilePath instance from the names of confronted datasets ready to point to a location in the
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
640 "result/" folder, used by this tool for output files in collections.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
641
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
642 Args:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
643 dataset1Name : _description_
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
644 dataset2Name : _description_. Defaults to "rest".
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
645 details : _description_
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
646 ext : _description_
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
647
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
648 Returns:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
649 utils.FilePath : _description_
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
650 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
651 # This function returns a util data structure but is extremely specific to this module.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
652 # RAS also uses collections as output and as such might benefit from a method like this, but I'd wait
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
653 # TODO: until a third tool with multiple outputs appears before porting this to utils.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
654 return utils.FilePath(
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
655 f"{dataset1Name}_vs_{dataset2Name}" + (f" ({details})" if details else ""),
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
656 # ^^^ yes this string is built every time even if the form is the same for the same 2 datasets in
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
657 # all output files: I don't care, this was never the performance bottleneck of the tool and
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
658 # there is no other net gain in saving and re-using the built string.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
659 ext,
146
88cf4543e210 Uploaded
bimib
parents: 145
diff changeset
660 prefix = ARGS.output_path)
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
661
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
662 FIELD_NOT_AVAILABLE = '/'
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
663 def writeToCsv(rows: List[list], fieldNames :List[str], outPath :utils.FilePath) -> None:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
664 fieldsAmt = len(fieldNames)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
665 with open(outPath.show(), "w", newline = "") as fd:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
666 writer = csv.DictWriter(fd, fieldnames = fieldNames, delimiter = '\t')
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
667 writer.writeheader()
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
668
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
669 for row in rows:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
670 sizeMismatch = fieldsAmt - len(row)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
671 if sizeMismatch > 0: row.extend([FIELD_NOT_AVAILABLE] * sizeMismatch)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
672 writer.writerow({ field : data for field, data in zip(fieldNames, row) })
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
673
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
674 OldEnrichedScores = Dict[str, List[Union[float, FoldChange]]] #TODO: try to use Tuple whenever possible
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
675 def writeTabularResult(enrichedScores : OldEnrichedScores, ras_enrichment: bool, outPath :utils.FilePath) -> None:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
676 fieldNames = ["ids", "P_Value", "fold change"]
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
677 if not ras_enrichment: fieldNames.extend(["average_1", "average_2"])
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
678
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
679 writeToCsv([ [reactId] + values for reactId, values in enrichedScores.items() ], fieldNames, outPath)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
680
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
681 def temp_thingsInCommon(tmp :Dict[str, List[Union[float, FoldChange]]], core_map :ET.ElementTree, max_z_score :float, dataset1Name :str, dataset2Name = "rest", ras_enrichment = True) -> None:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
682 # this function compiles the things always in common between comparison modes after enrichment.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
683 # TODO: organize, name better.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
684 writeTabularResult(tmp, ras_enrichment, buildOutputPath(dataset1Name, dataset2Name, details = "Tabular Result", ext = utils.FileFormat.TSV))
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
685
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
686 if ras_enrichment:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
687 fix_map(tmp, core_map, ARGS.pValue, ARGS.fChange, max_z_score)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
688 return
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
689
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
690 for reactId, enrichData in tmp.items(): tmp[reactId] = tuple(enrichData)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
691 applyRpsEnrichmentToMap(tmp, core_map, max_z_score)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
692
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
693 def computePValue(dataset1Data: List[float], dataset2Data: List[float]) -> Tuple[float, float]:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
694 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
695 Computes the statistical significance score (P-value) of the comparison between coherent data
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
696 from two datasets. The data is supposed to, in both datasets:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
697 - be related to the same reaction ID;
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
698 - be ordered by sample, such that the item at position i in both lists is related to the
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
699 same sample or cell line.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
700
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
701 Args:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
702 dataset1Data : data from the 1st dataset.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
703 dataset2Data : data from the 2nd dataset.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
704
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
705 Returns:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
706 tuple: (P-value, Z-score)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
707 - P-value from a Kolmogorov-Smirnov test on the provided data.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
708 - Z-score of the difference between means of the two datasets.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
709 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
710 # Perform Kolmogorov-Smirnov test
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
711 ks_statistic, p_value = st.ks_2samp(dataset1Data, dataset2Data)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
712
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
713 # Calculate means and standard deviations
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
714 mean1 = np.mean(dataset1Data)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
715 mean2 = np.mean(dataset2Data)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
716 std1 = np.std(dataset1Data, ddof=1)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
717 std2 = np.std(dataset2Data, ddof=1)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
718
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
719 n1 = len(dataset1Data)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
720 n2 = len(dataset2Data)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
721
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
722 # Calculate Z-score
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
723 z_score = (mean1 - mean2) / np.sqrt((std1**2 / n1) + (std2**2 / n2))
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
724
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
725 return p_value, z_score
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
726
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
727 def compareDatasetPair(dataset1Data :List[List[float]], dataset2Data :List[List[float]], ids :List[str]) -> Tuple[Dict[str, List[Union[float, FoldChange]]], float]:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
728 #TODO: the following code still suffers from "dumbvarnames-osis"
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
729 tmp :Dict[str, List[Union[float, FoldChange]]] = {}
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
730 count = 0
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
731 max_z_score = 0
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
732
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
733 for l1, l2 in zip(dataset1Data, dataset2Data):
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
734 reactId = ids[count]
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
735 count += 1
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
736 if not reactId: continue # we skip ids that have already been processed
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
737
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
738 try: #TODO: identify the source of these errors and minimize code in the try block
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
739 reactDir = ReactionDirection.fromReactionId(reactId)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
740 # Net score is computed only for reversible reactions when user wants it on arrow tips or when RAS datasets aren't used
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
741 if (ARGS.net or not ARGS.using_RAS) and reactDir is not ReactionDirection.Unknown:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
742 try: position = ids.index(reactId[:-1] + ('B' if reactDir is ReactionDirection.Direct else 'F'))
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
743 except ValueError: continue # we look for the complementary id, if not found we skip
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
744
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
745 nets1 = np.subtract(l1, dataset1Data[position])
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
746 nets2 = np.subtract(l2, dataset2Data[position])
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
747
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luca_milaz
parents:
diff changeset
748 p_value, z_score = computePValue(nets1, nets2)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
749 avg1 = sum(nets1) / len(nets1)
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luca_milaz
parents:
diff changeset
750 avg2 = sum(nets2) / len(nets2)
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luca_milaz
parents:
diff changeset
751 net = fold_change(avg1, avg2)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
752
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
753 if math.isnan(net): continue
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
754 tmp[reactId[:-1] + "RV"] = [p_value, net, z_score, avg1, avg2]
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
755
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
756 # vvv complementary directional ids are set to None once processed if net is to be applied to tips
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
757 if ARGS.net:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
758 ids[position] = None
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
759 continue
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
760
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
761 # fallthrough is intended, regular scores need to be computed when tips aren't net but RAS datasets aren't used
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luca_milaz
parents:
diff changeset
762 p_value, z_score = computePValue(l1, l2)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
763 avg = fold_change(sum(l1) / len(l1), sum(l2) / len(l2))
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luca_milaz
parents:
diff changeset
764 if not isinstance(z_score, str) and max_z_score < abs(z_score): max_z_score = abs(z_score)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
765 tmp[reactId] = [float(p_value), avg, z_score]
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luca_milaz
parents:
diff changeset
766
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
767 except (TypeError, ZeroDivisionError): continue
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
768
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
769 return tmp, max_z_score
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luca_milaz
parents:
diff changeset
770
151
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luca_milaz
parents: 147
diff changeset
771 def computeEnrichment(class_pat: Dict[str, List[List[float]]], ids: List[str], *, fromRAS=True) -> List[Tuple[str, str, dict, float]]:
4
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luca_milaz
parents:
diff changeset
772 """
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luca_milaz
parents:
diff changeset
773 Compares clustered data based on a given comparison mode and applies enrichment-based styling on the
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
774 provided metabolic map.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
775
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
776 Args:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
777 class_pat : the clustered data.
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luca_milaz
parents:
diff changeset
778 ids : ids for data association.
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luca_milaz
parents:
diff changeset
779 fromRAS : whether the data to enrich consists of RAS scores.
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luca_milaz
parents:
diff changeset
780
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
781 Returns:
143
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luca_milaz
parents: 4
diff changeset
782 List[Tuple[str, str, dict, float]]: List of tuples with pairs of dataset names, comparison dictionary, and max z-score.
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luca_milaz
parents: 4
diff changeset
783
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
784 Raises:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
785 sys.exit : if there are less than 2 classes for comparison
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
786 """
143
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luca_milaz
parents: 4
diff changeset
787 class_pat = {k.strip(): v for k, v in class_pat.items()}
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luca_milaz
parents: 4
diff changeset
788 if (not class_pat) or (len(class_pat.keys()) < 2):
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luca_milaz
parents: 4
diff changeset
789 sys.exit('Execution aborted: classes provided for comparisons are less than two\n')
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luca_milaz
parents: 4
diff changeset
790
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luca_milaz
parents: 4
diff changeset
791 enrichment_results = []
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
792
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
793 if ARGS.comparison == "manyvsmany":
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
794 for i, j in it.combinations(class_pat.keys(), 2):
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
795 comparisonDict, max_z_score = compareDatasetPair(class_pat.get(i), class_pat.get(j), ids)
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
796 enrichment_results.append((i, j, comparisonDict, max_z_score))
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
797
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
798 elif ARGS.comparison == "onevsrest":
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
799 for single_cluster in class_pat.keys():
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
800 rest = [item for k, v in class_pat.items() if k != single_cluster for item in v]
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
801 comparisonDict, max_z_score = compareDatasetPair(class_pat.get(single_cluster), rest, ids)
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
802 enrichment_results.append((single_cluster, "rest", comparisonDict, max_z_score))
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
803
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
804 elif ARGS.comparison == "onevsmany":
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
805 controlItems = class_pat.get(ARGS.control)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
806 for otherDataset in class_pat.keys():
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
807 if otherDataset == ARGS.control:
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luca_milaz
parents: 4
diff changeset
808 continue
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
809 comparisonDict, max_z_score = compareDatasetPair(controlItems, class_pat.get(otherDataset), ids)
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
810 enrichment_results.append((ARGS.control, otherDataset, comparisonDict, max_z_score))
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
811
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
812 return enrichment_results
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
813
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
814 def createOutputMaps(dataset1Name: str, dataset2Name: str, core_map: ET.ElementTree) -> None:
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
815 svgFilePath = buildOutputPath(dataset1Name, dataset2Name, details="SVG Map", ext=utils.FileFormat.SVG)
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
816 utils.writeSvg(svgFilePath, core_map)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
817
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
818 if ARGS.generate_pdf:
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
819 pngPath = buildOutputPath(dataset1Name, dataset2Name, details="PNG Map", ext=utils.FileFormat.PNG)
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
820 pdfPath = buildOutputPath(dataset1Name, dataset2Name, details="PDF Map", ext=utils.FileFormat.PDF)
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
821 convert_to_pdf(svgFilePath, pngPath, pdfPath)
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
822
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
823 if not ARGS.generate_svg:
145
0f5564819296 Uploaded
luca_milaz
parents: 144
diff changeset
824 os.remove(svgFilePath.show())
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
825
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
826 ClassPat = Dict[str, List[List[float]]]
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
827 def getClassesAndIdsFromDatasets(datasetsPaths :List[str], datasetPath :str, classPath :str, names :List[str]) -> Tuple[List[str], ClassPat]:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
828 # TODO: I suggest creating dicts with ids as keys instead of keeping class_pat and ids separate,
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
829 # for the sake of everyone's sanity.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
830 class_pat :ClassPat = {}
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
831 if ARGS.option == 'datasets':
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
832 num = 1 #TODO: the dataset naming function could be a generator
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
833 for path, name in zip(datasetsPaths, names):
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
834 name = name_dataset(name, num)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
835 resolve_rules_float, ids = getDatasetValues(path, name)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
836 if resolve_rules_float != None:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
837 class_pat[name] = list(map(list, zip(*resolve_rules_float.values())))
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
838
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
839 num += 1
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
840
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
841 elif ARGS.option == "dataset_class":
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
842 classes = read_dataset(classPath, "class")
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
843 classes = classes.astype(str)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
844
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
845 resolve_rules_float, ids = getDatasetValues(datasetPath, "Dataset Class (not actual name)")
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
846 if resolve_rules_float != None: class_pat = split_class(classes, resolve_rules_float)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
847
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
848 return ids, class_pat
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
849 #^^^ TODO: this could be a match statement over an enum, make it happen future marea dev with python 3.12! (it's why I kept the ifs)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
850
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
851 #TODO: create these damn args as FilePath objects
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
852 def getDatasetValues(datasetPath :str, datasetName :str) -> Tuple[ClassPat, List[str]]:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
853 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
854 Opens the dataset at the given path and extracts the values (expected nullable numerics) and the IDs.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
855
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
856 Args:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
857 datasetPath : path to the dataset
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
858 datasetName (str): dataset name, used in error reporting
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
859
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
860 Returns:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
861 Tuple[ClassPat, List[str]]: values and IDs extracted from the dataset
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
862 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
863 dataset = read_dataset(datasetPath, datasetName)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
864 IDs = pd.Series.tolist(dataset.iloc[:, 0].astype(str))
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
865
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
866 dataset = dataset.drop(dataset.columns[0], axis = "columns").to_dict("list")
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
867 return { id : list(map(utils.Float("Dataset values, not an argument"), values)) for id, values in dataset.items() }, IDs
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
868
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
869 ############################ MAIN #############################################
147
3fca9b568faf Uploaded
bimib
parents: 146
diff changeset
870 def main(args:List[str] = None) -> None:
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
871 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
872 Initializes everything and sets the program in motion based on the fronted input arguments.
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
873
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
874 Returns:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
875 None
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
876
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
877 Raises:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
878 sys.exit : if a user-provided custom map is in the wrong format (ET.XMLSyntaxError, ET.XMLSchemaParseError)
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
879 """
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
880 global ARGS
146
88cf4543e210 Uploaded
bimib
parents: 145
diff changeset
881 ARGS = process_args(args)
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
882
146
88cf4543e210 Uploaded
bimib
parents: 145
diff changeset
883 if not os.path.isdir(ARGS.output_path):
88cf4543e210 Uploaded
bimib
parents: 145
diff changeset
884 os.makedirs(ARGS.output_path)
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
885
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
886 core_map: ET.ElementTree = ARGS.choice_map.getMap(
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
887 ARGS.tool_dir,
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
888 utils.FilePath.fromStrPath(ARGS.custom_map) if ARGS.custom_map else None)
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
889
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
890 if ARGS.using_RAS:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
891 ids, class_pat = getClassesAndIdsFromDatasets(ARGS.input_datas, ARGS.input_data, ARGS.input_class, ARGS.names)
151
8e3cbf68cdc4 Uploaded
luca_milaz
parents: 147
diff changeset
892 enrichment_results = computeEnrichment(class_pat, ids)
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
893 for i, j, comparisonDict, max_z_score in enrichment_results:
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
894 map_copy = copy.deepcopy(core_map)
144
a9a490ae198d Uploaded
luca_milaz
parents: 143
diff changeset
895 temp_thingsInCommon(comparisonDict, map_copy, max_z_score, i, j, ras_enrichment=True)
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
896 createOutputMaps(i, j, map_copy)
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
897
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
898 if ARGS.using_RPS:
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
899 ids, class_pat = getClassesAndIdsFromDatasets(ARGS.input_datas_rps, ARGS.input_data_rps, ARGS.input_class_rps, ARGS.names_rps)
151
8e3cbf68cdc4 Uploaded
luca_milaz
parents: 147
diff changeset
900 enrichment_results = computeEnrichment(class_pat, ids, fromRAS=False)
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
901 for i, j, comparisonDict, max_z_score in enrichment_results:
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
902 map_copy = copy.deepcopy(core_map)
144
a9a490ae198d Uploaded
luca_milaz
parents: 143
diff changeset
903 temp_thingsInCommon(comparisonDict, map_copy, max_z_score, i, j, ras_enrichment=False)
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
904 createOutputMaps(i, j, map_copy)
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
905
143
507efdc9d226 Uploaded
luca_milaz
parents: 4
diff changeset
906 print('Execution succeeded')
4
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
907 ###############################################################################
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
908 if __name__ == "__main__":
41f35c2f0c7b Uploaded
luca_milaz
parents:
diff changeset
909 main()