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1 #!/usr/bin/env python3
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2
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3 # Kranti Konganti
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4
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5 import argparse
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6 import inspect
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7 import logging
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8 import os
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9 import pickle
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10 import pprint
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11 import re
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12 from collections import defaultdict
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13
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14
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15 # Multiple inheritence for pretty printing of help text.
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16 class MultiArgFormatClasses(
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17 argparse.RawTextHelpFormatter, argparse.ArgumentDefaultsHelpFormatter
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18 ):
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19 pass
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20
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21
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22 # Main
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23 def main() -> None:
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24 """
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25 This script works only in the context of `bettercallsal_db` Nextflow workflow.
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26 It takes an UNIX path to directory containing the following files:
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27 1. PDG metadata file (Ex: `PDG000000043.204.metadata.tsv`)
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28 2. PDG SNP Cluster metadata file (Ex: `PDG000000043.204.reference_target.cluster_list.tsv`)
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29 3. A list of possibly downloadable assembly accessions (one per line) from the metadata file.
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30 and then generates a pickled file with relevant metadata columns mentioned with the -cols option.
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31 """
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32
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33 # Set logging.
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34 logging.basicConfig(
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35 format="\n"
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36 + "=" * 55
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37 + "\n%(asctime)s - %(levelname)s\n"
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38 + "=" * 55
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39 + "\n%(message)s\n\n",
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40 level=logging.DEBUG,
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41 )
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42
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43 # Debug print.
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44 ppp = pprint.PrettyPrinter(width=55)
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45 prog_name = os.path.basename(inspect.stack()[0].filename)
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46
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47 parser = argparse.ArgumentParser(
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48 prog=prog_name, description=main.__doc__, formatter_class=MultiArgFormatClasses
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49 )
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50
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51 required = parser.add_argument_group("required arguments")
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52
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53 required.add_argument(
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54 "-pdg_dir",
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55 dest="pdg_dir",
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56 default=False,
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57 required=True,
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58 help="Absolute UNIX path to directory containing the following files.\nEx:"
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59 + "\n1. PDG000000043.204.metadata.tsv"
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60 + "\n2. PDG000000043.204.reference_target.cluster_list.tsv"
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61 + "\n3. A file of assembly accessions, one per line parsed out from"
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62 + "\n the metadata file.",
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63 )
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64 parser.add_argument(
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65 "-mlst",
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66 dest="mlst_results",
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67 required=False,
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68 help="Absolute UNIX path to MLST results file\nIf MLST results exists for a accession, they"
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69 + "\nwill be included in the index.",
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70 )
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71 parser.add_argument(
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72 "-pdg_meta_pat",
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73 dest="pdg_meta_pat",
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74 default="PDG\d+\.\d+\.metadata\.tsv",
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75 required=False,
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76 help="The pattern to be used to search for PDG metadata\nfile.",
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77 )
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78 parser.add_argument(
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79 "-pdg_snp_meta_pat",
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80 dest="pdg_snp_meta_pat",
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81 default="PDG\d+\.\d+\.reference\_target\.cluster\_list\.tsv",
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82 required=False,
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83 help="The pattern to be used to search for PDG SNP Cluster metadata\nfile.",
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84 )
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85 parser.add_argument(
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86 "-pdg_accs_filename_pat",
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87 dest="pdg_accs_fn_pat",
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88 default="accs_all.txt",
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89 required=False,
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90 help="The filename to look for where all the parsed GC[AF] accessions are stored,\n"
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91 + "one per line.",
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92 )
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93 parser.add_argument(
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94 "-cols",
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95 dest="metadata_cols",
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96 default="epi_type,collected_by,collection_date,host,"
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97 + "\nhost_disease,isolation_source,outbreak,sample_name,scientific_name,serovar,"
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98 + "\nsource_type,strain,computed_types,target_acc,geo_loc_name",
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99 required=False,
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100 help="The data in these metadata columns will be indexed for each\nisolate.",
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101 )
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102 parser.add_argument(
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103 "-fs",
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104 dest="force_write_pick",
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105 action="store_true",
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106 required=False,
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107 help="By default, when -s flag is on, the pickle file named *.IDXD_PDG_METAD.pickle"
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108 + "\nis written to CWD. If the file exists, the program will not overwrite"
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109 + "\nand exit. Use -fs option to overwrite.",
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110 )
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111 parser.add_argument(
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112 "-op",
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113 dest="out_prefix",
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114 default="IDXD_PDG_METAD",
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115 help="Set the output file prefix for indexed PDG metadata.",
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116 )
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117 parser.add_argument(
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118 "-pfs",
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119 dest="pdg_meta_fs",
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120 default="\t",
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121 help="Change the field separator of the PDG metadata file.",
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122 )
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123
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124 args = parser.parse_args()
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125 pdg_dir = os.path.abspath(args.pdg_dir)
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126 mcols = args.metadata_cols
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127 f_write_pick = args.force_write_pick
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128 out_prefix = args.out_prefix
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129 pdg_meta_fs = args.pdg_meta_fs
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130 mlst_res = args.mlst_results
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131 acc_pat = re.compile(r"^GC[AF]\_\d+\.?\d*")
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132 mcols_pat = re.compile(r"[\w+\,]")
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133 pdg_meta_pat = re.compile(f"{args.pdg_meta_pat}")
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134 pdg_snp_meta_pat = re.compile(f"{args.pdg_snp_meta_pat}")
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135 pdg_accs_fn_pat = re.compile(f"{args.pdg_accs_fn_pat}")
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136 target_acc_col = 41
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137 acc_col = 9
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138 num_accs_check = list()
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139 mlst_sts = dict()
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140 acceptable_num_mlst_cols = 10
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141 mlst_st_col = 2
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142 mlst_acc_col = 0
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143
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144 # Basic checks
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145
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146 if os.path.exists(pdg_dir) and os.path.isdir(pdg_dir):
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147 pdg_meta_file = [f for f in os.listdir(pdg_dir) if pdg_meta_pat.match(f)]
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148 pdg_snp_meta_file = [
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149 f for f in os.listdir(pdg_dir) if pdg_snp_meta_pat.match(f)
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150 ]
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151 pdg_acc_all = [f for f in os.listdir(pdg_dir) if pdg_accs_fn_pat.match(f)]
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152 req_files = [len(pdg_meta_file), len(pdg_snp_meta_file), len(pdg_acc_all)]
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153 if any(x > 1 for x in req_files):
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154 logging.error(
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155 f"Directory {os.path.basename(pdg_dir)} contains"
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156 + "\ncontains mulitple files matching the search pattern."
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157 )
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158 exit(1)
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159 elif any(x == 0 for x in req_files):
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160 logging.error(
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161 f"Directory {os.path.basename(pdg_dir)} does not contain"
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162 + "\nany files matching the following file patterns:"
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163 + f"\n{pdg_meta_pat.pattern}"
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164 + f"\n{pdg_snp_meta_pat.pattern}"
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165 + f"\n{pdg_accs_fn_pat.pattern}"
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166 )
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167 exit(1)
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168 pdg_meta_file = os.path.join(pdg_dir, "".join(pdg_meta_file))
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169 pdg_snp_meta_file = os.path.join(pdg_dir, "".join(pdg_snp_meta_file))
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170 pdg_acc_all = os.path.join(pdg_dir, "".join(pdg_acc_all))
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171 else:
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172 logging.error(f"Directory path {pdg_dir} does not exist.")
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173 exit(1)
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174
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175 if mlst_res and not (os.path.exists(mlst_res) or os.path.getsize(mlst_res) > 0):
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176 logging.error(
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177 f"Requested to index MLST results. but the file {os.path.basename(mlst_res)}"
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178 + "does not exist or the file is empty."
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179 )
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180 exit(1)
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181 elif mlst_res:
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182 with open(mlst_res, "r") as mlst_res_fh:
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183 header = mlst_res_fh.readline()
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184 mlst_res_has_10_cols = False
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185
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186 for line in mlst_res_fh:
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187 cols = line.strip().split("\t")
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188 acc = acc_pat.findall(cols[mlst_acc_col])
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189 if len(acc) > 1:
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190 logging.error(
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191 f"Found more than 1 accession in column:\ncols[mlst_acc_col]\n"
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192 )
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193 exit(1)
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194 else:
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195 acc = "".join(acc)
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196 if len(cols) == acceptable_num_mlst_cols and re.match(
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197 r"\d+|\-", cols[mlst_st_col]
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198 ):
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199 mlst_res_has_10_cols = True
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200 if re.match(r"\-", cols[mlst_st_col]):
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201 mlst_sts[acc] = "NULL"
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202 else:
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203 mlst_sts[acc] = cols[mlst_st_col]
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204
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205 if not mlst_res_has_10_cols:
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206 logging.error(
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207 "Requested to incorporate MLST ST's but file"
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208 + f"\n{os.path.basename(mlst_res)}"
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209 + "\ndoes not have 10 columns in all rows."
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210 )
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211 exit(1)
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212
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213 mlst_res_fh.close()
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214
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215 with open(pdg_acc_all, "r") as pdg_acc_all_fh:
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216 for a in pdg_acc_all_fh.readlines():
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217 num_accs_check.append(a.strip())
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218
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219 if not mcols_pat.match(mcols):
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220 logging.error(
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221 f"Supplied columns' names should only be"
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222 + "\nalphanumeric (including _) separated by a comma."
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223 )
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224 exit(1)
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225 else:
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226 mcols = re.sub("\n", "", mcols).split(",")
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227
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228 if (
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229 pdg_snp_meta_file
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230 and os.path.exists(pdg_snp_meta_file)
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231 and os.path.getsize(pdg_snp_meta_file) > 0
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232 ):
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233 acc2snp = defaultdict()
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234 acc2meta = defaultdict(defaultdict)
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235 init_pickled_sero = os.path.join(os.getcwd(), out_prefix + ".pickle")
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236
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237 if (
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238 os.path.exists(init_pickled_sero)
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239 and os.path.getsize(init_pickled_sero)
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240 and not f_write_pick
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241 ):
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242 logging.error(
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243 f"File {os.path.basename(init_pickled_sero)} already exists in\n{os.getcwd()}\n"
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244 + "Use -fs to force overwrite it."
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245 )
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246 exit(1)
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247
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248 with open(pdg_snp_meta_file, "r") as snp_meta:
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249 header = snp_meta.readline()
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250 skipped_acc2snp = set()
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251 for line in snp_meta:
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252 cols = line.strip().split(pdg_meta_fs)
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253 if not 4 <= len(cols) < 5:
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254 logging.error(
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255 f"The metadata file {pdg_snp_meta_file} is malformed.\n"
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256 + f"Expected 4 columns. Got {len(cols)} columns.\n"
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257 )
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258 exit(1)
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259
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260 if re.match("NULL", cols[3]):
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261 skipped_acc2snp.add(
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262 f"Isolate {cols[1]} has no genome accession: {cols[3]}"
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263 )
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264 elif not acc_pat.match(cols[3]):
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265 logging.error(
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266 f"Did not find accession in either field number 4\n"
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267 + "or field number 10 of column 4."
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268 + f"\nLine: {line}"
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269 )
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270 exit(1)
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271 elif not re.match("NULL", cols[3]):
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272 acc2snp[cols[3]] = cols[0]
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273
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274 if len(skipped_acc2snp) > 0:
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275 logging.info(
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276 f"While indexing\n{os.path.basename(pdg_snp_meta_file)},"
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277 + "\nthese isolates were skipped:\n\n"
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278 + "\n".join(skipped_acc2snp)
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279 )
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280
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281 with open(pdg_meta_file, "r") as pdg_meta:
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282 header = pdg_meta.readline().strip().split(pdg_meta_fs)
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283 user_req_cols = [
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284 mcol_i for mcol_i, mcol in enumerate(header) if mcol in mcols
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285 ]
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286 cols_not_found = [mcol for mcol in mcols if mcol not in header]
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287 null_wgs_accs = set()
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288 if len(cols_not_found) > 0:
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289 logging.error(
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290 f"The following columns do not exist in the"
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291 + f"\nmetadata file [ {os.path.basename(pdg_meta_file)} ]:\n"
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292 + "".join(cols_not_found)
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293 )
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294 exit(1)
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295
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296 for line in pdg_meta.readlines():
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297 cols = line.strip().split(pdg_meta_fs)
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298 pdg_assm_acc = cols[acc_col]
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299 if not acc_pat.match(pdg_assm_acc):
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300 null_wgs_accs.add(
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301 f"Isolate {cols[target_acc_col]} has no genome accession: {pdg_assm_acc}"
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302 )
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303 continue
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304
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305 if pdg_assm_acc in mlst_sts.keys():
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306 acc2meta[pdg_assm_acc].setdefault("mlst_sequence_type", []).append(
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307 str(mlst_sts[pdg_assm_acc])
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308 )
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309
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310 for col in user_req_cols:
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311 acc2meta[pdg_assm_acc].setdefault(header[col], []).append(
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312 str(cols[col])
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313 )
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314
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315 if len(null_wgs_accs) > 0:
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316 logging.info(
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317 f"While indexing\n{os.path.basename(pdg_meta_file)},"
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318 + "\nthese isolates were skipped:\n\n"
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319 + "\n".join(null_wgs_accs)
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320 )
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321
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322 with open(init_pickled_sero, "wb") as write_pickled_sero:
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323 pickle.dump(file=write_pickled_sero, obj=acc2meta)
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324
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325 if len(num_accs_check) != len(acc2meta.keys()):
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326 logging.error(
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327 "Failed the accession count check."
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328 + f"\nExpected {len(num_accs_check)} accessions but got {len(acc2meta.keys())}."
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329 )
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330 exit(1)
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331 else:
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332 logging.info(
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333 f"Number of valid accessions: {len(num_accs_check)}"
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334 + f"\nNumber of accessions indexed: {len(acc2meta.keys())}"
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335 + f"\nNumber of accessions participating in any of the SNP Clusters: {len(acc2snp.keys())}"
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336 + f"\n\nCreated the pickle file for\n{os.path.basename(pdg_meta_file)}."
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337 + "\nThis was the only requested function."
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338 )
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339
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340 snp_meta.close()
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341 write_pickled_sero.close()
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342 exit(0)
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343 elif pdg_meta_file and not (
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344 os.path.exists(pdg_meta_file) and os.path.getsize(pdg_meta_file) > 0
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345 ):
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346 logging.error(
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347 "Requested to create pickle from metadata, but\n"
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348 + f"the file, {os.path.basename(pdg_meta_file)} is empty or\ndoes not exist!"
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349 )
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350 exit(1)
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351
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352 pdg_acc_all_fh.close()
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353 snp_meta.close()
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354 pdg_meta.close()
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355 write_pickled_sero.close()
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356
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357
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358 if __name__ == "__main__":
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359 main()
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