gsrap 0.8.2__tar.gz → 0.9.0__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (102) hide show
  1. {gsrap-0.8.2 → gsrap-0.9.0}/PKG-INFO +1 -1
  2. {gsrap-0.8.2 → gsrap-0.9.0}/pyproject.toml +1 -1
  3. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/.ipynb_checkpoints/__init__-checkpoint.py +2 -0
  4. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/__init__.py +2 -0
  5. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/assets/kegg_compound_to_others.pickle +0 -0
  6. gsrap-0.9.0/src/gsrap/assets/kegg_reaction_to_others.pickle +0 -0
  7. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/.ipynb_checkpoints/downloads-checkpoint.py +96 -4
  8. gsrap-0.9.0/src/gsrap/commons/.ipynb_checkpoints/escherutils-checkpoint.py +108 -0
  9. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/.ipynb_checkpoints/excelhub-checkpoint.py +2 -2
  10. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/downloads.py +96 -4
  11. gsrap-0.9.0/src/gsrap/commons/escherutils.py +108 -0
  12. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/excelhub.py +2 -2
  13. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/getmaps/.ipynb_checkpoints/getmaps-checkpoint.py +14 -5
  14. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/getmaps/.ipynb_checkpoints/kdown-checkpoint.py +75 -4
  15. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/getmaps/getmaps.py +14 -5
  16. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/getmaps/kdown.py +75 -4
  17. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/.ipynb_checkpoints/annotation-checkpoint.py +9 -0
  18. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/.ipynb_checkpoints/completeness-checkpoint.py +45 -11
  19. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/.ipynb_checkpoints/manual-checkpoint.py +10 -0
  20. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/.ipynb_checkpoints/parsedb-checkpoint.py +40 -19
  21. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/.ipynb_checkpoints/repeating-checkpoint.py +2 -2
  22. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/annotation.py +9 -0
  23. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/completeness.py +45 -11
  24. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/manual.py +10 -0
  25. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/parsedb.py +40 -19
  26. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/repeating.py +2 -2
  27. gsrap-0.8.2/src/gsrap/assets/kegg_reaction_to_others.pickle +0 -0
  28. gsrap-0.8.2/src/gsrap/commons/.ipynb_checkpoints/escherutils-checkpoint.py +0 -37
  29. gsrap-0.8.2/src/gsrap/commons/escherutils.py +0 -37
  30. {gsrap-0.8.2 → gsrap-0.9.0}/LICENSE.txt +0 -0
  31. {gsrap-0.8.2 → gsrap-0.9.0}/README.md +0 -0
  32. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/assets/.ipynb_checkpoints/PM1-checkpoint.csv +0 -0
  33. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/assets/.ipynb_checkpoints/PM2A-checkpoint.csv +0 -0
  34. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/assets/.ipynb_checkpoints/PM3B-checkpoint.csv +0 -0
  35. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/assets/.ipynb_checkpoints/PM4A-checkpoint.csv +0 -0
  36. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/assets/PM1.csv +0 -0
  37. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/assets/PM2A.csv +0 -0
  38. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/assets/PM3B.csv +0 -0
  39. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/assets/PM4A.csv +0 -0
  40. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/assets/__init__.py +0 -0
  41. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/.ipynb_checkpoints/__init__-checkpoint.py +0 -0
  42. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/.ipynb_checkpoints/biomass-checkpoint.py +0 -0
  43. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/.ipynb_checkpoints/coeffs-checkpoint.py +0 -0
  44. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/.ipynb_checkpoints/figures-checkpoint.py +0 -0
  45. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/.ipynb_checkpoints/fluxbal-checkpoint.py +0 -0
  46. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/.ipynb_checkpoints/keggutils-checkpoint.py +0 -0
  47. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/.ipynb_checkpoints/logutils-checkpoint.py +0 -0
  48. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/.ipynb_checkpoints/medium-checkpoint.py +0 -0
  49. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/.ipynb_checkpoints/memoteutils-checkpoint.py +0 -0
  50. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/.ipynb_checkpoints/metrics-checkpoint.py +0 -0
  51. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/.ipynb_checkpoints/sbmlutils-checkpoint.py +0 -0
  52. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/__init__.py +0 -0
  53. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/biomass.py +0 -0
  54. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/coeffs.py +0 -0
  55. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/figures.py +0 -0
  56. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/fluxbal.py +0 -0
  57. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/keggutils.py +0 -0
  58. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/logutils.py +0 -0
  59. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/medium.py +0 -0
  60. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/memoteutils.py +0 -0
  61. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/metrics.py +0 -0
  62. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/commons/sbmlutils.py +0 -0
  63. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/getmaps/.ipynb_checkpoints/__init__-checkpoint.py +0 -0
  64. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/getmaps/__init__.py +0 -0
  65. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/.ipynb_checkpoints/__init__-checkpoint.py +0 -0
  66. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/.ipynb_checkpoints/biologcuration-checkpoint.py +0 -0
  67. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/.ipynb_checkpoints/gapfill-checkpoint.py +0 -0
  68. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/.ipynb_checkpoints/gapfillutils-checkpoint.py +0 -0
  69. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/.ipynb_checkpoints/mkmodel-checkpoint.py +0 -0
  70. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/.ipynb_checkpoints/polishing-checkpoint.py +0 -0
  71. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/.ipynb_checkpoints/pruner-checkpoint.py +0 -0
  72. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/__init__.py +0 -0
  73. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/biologcuration.py +0 -0
  74. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/gapfill.py +0 -0
  75. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/gapfillutils.py +0 -0
  76. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/mkmodel.py +0 -0
  77. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/polishing.py +0 -0
  78. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/mkmodel/pruner.py +0 -0
  79. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/.ipynb_checkpoints/__init__-checkpoint.py +0 -0
  80. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/.ipynb_checkpoints/cycles-checkpoint.py +0 -0
  81. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/.ipynb_checkpoints/introduce-checkpoint.py +0 -0
  82. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/__init__.py +0 -0
  83. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/cycles.py +0 -0
  84. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/parsedb/introduce.py +0 -0
  85. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/.ipynb_checkpoints/__init__-checkpoint.py +0 -0
  86. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/.ipynb_checkpoints/biosynth-checkpoint.py +0 -0
  87. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/.ipynb_checkpoints/cnps-checkpoint.py +0 -0
  88. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/.ipynb_checkpoints/essentialgenes-checkpoint.py +0 -0
  89. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/.ipynb_checkpoints/growthfactors-checkpoint.py +0 -0
  90. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/.ipynb_checkpoints/precursors-checkpoint.py +0 -0
  91. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/.ipynb_checkpoints/runsims-checkpoint.py +0 -0
  92. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/.ipynb_checkpoints/simplegrowth-checkpoint.py +0 -0
  93. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/.ipynb_checkpoints/singleomission-checkpoint.py +0 -0
  94. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/__init__.py +0 -0
  95. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/biosynth.py +0 -0
  96. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/cnps.py +0 -0
  97. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/essentialgenes.py +0 -0
  98. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/growthfactors.py +0 -0
  99. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/precursors.py +0 -0
  100. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/runsims.py +0 -0
  101. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/simplegrowth.py +0 -0
  102. {gsrap-0.8.2 → gsrap-0.9.0}/src/gsrap/runsims/singleomission.py +0 -0
@@ -1,6 +1,6 @@
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1
  Metadata-Version: 2.3
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  Name: gsrap
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- Version: 0.8.2
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+ Version: 0.9.0
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  Summary:
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  License: GNU General Public License v3.0
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  Author: Gioele Lazzari
@@ -1,6 +1,6 @@
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1
  [tool.poetry]
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  name = "gsrap"
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- version = "0.8.2"
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+ version = "0.9.0"
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  description = ""
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5
  authors = ["Gioele Lazzari"]
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  license = "GNU General Public License v3.0"
@@ -75,12 +75,14 @@ def main():
75
75
  parsedb_parser.add_argument("-z", "--initialize", metavar='', type=str, default='-', help="Initialize the universe on the provided medium. By default, the first medium in --media is used. Use 'none' to avoid initialization.")
76
76
  parsedb_parser.add_argument("--precursors", action='store_true', help="Verify biosynthesis of biomass precursors and show blocked ones.")
77
77
  parsedb_parser.add_argument("--biosynth", action='store_true', help="Check biosynthesis of all metabolites and detect dead-ends.")
78
+ parsedb_parser.add_argument("-t", "--taxon", metavar='', type=str, default='-', help="High-level taxon of interest. If provided, it must follow the syntax '{level}:{name}', where {level} is 'kingdom' or 'phylum'.")
78
79
  parsedb_parser.add_argument("-e", "--eggnog", nargs='+', metavar='', type=str, default='-', help="Path to the optional eggnog-mapper annotation table(s).")
79
80
  parsedb_parser.add_argument("-k", "--keggorg", metavar='', type=str, default='-', help="A single KEGG Organism code. If provided, it takes precedence over --eggnog.")
80
81
  parsedb_parser.add_argument("--goodbefore", metavar='', type=str, default='-', help="Syntax is {pure_mid}-{rid1}-{rid2}. From top to bottom, build the universe until reaction {rid1}, transport {rid2} and metabolite {pure_mid} are reached.")
81
82
  parsedb_parser.add_argument("--onlyauthor", metavar='', type=str, default='-', help="Build the universe by parsing contents of the specified author ID only. Contents affected by --goodbefore are parsed anyway.")
82
83
  parsedb_parser.add_argument("--nofigs", action='store_true', help="Do not generate figures.")
83
84
  parsedb_parser.add_argument("-j", "--justparse", action='store_true', help="Just parse the database without performing extra activities (saves time during universe expansion).")
85
+ parsedb_parser.add_argument("-d", "--keepdisconn", action='store_true', help="Do not remove disconnected metabolites.")
84
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85
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@@ -75,12 +75,14 @@ def main():
75
75
  parsedb_parser.add_argument("-z", "--initialize", metavar='', type=str, default='-', help="Initialize the universe on the provided medium. By default, the first medium in --media is used. Use 'none' to avoid initialization.")
76
76
  parsedb_parser.add_argument("--precursors", action='store_true', help="Verify biosynthesis of biomass precursors and show blocked ones.")
77
77
  parsedb_parser.add_argument("--biosynth", action='store_true', help="Check biosynthesis of all metabolites and detect dead-ends.")
78
+ parsedb_parser.add_argument("-t", "--taxon", metavar='', type=str, default='-', help="High-level taxon of interest. If provided, it must follow the syntax '{level}:{name}', where {level} is 'kingdom' or 'phylum'.")
78
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  parsedb_parser.add_argument("-e", "--eggnog", nargs='+', metavar='', type=str, default='-', help="Path to the optional eggnog-mapper annotation table(s).")
79
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  parsedb_parser.add_argument("-k", "--keggorg", metavar='', type=str, default='-', help="A single KEGG Organism code. If provided, it takes precedence over --eggnog.")
80
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  parsedb_parser.add_argument("--goodbefore", metavar='', type=str, default='-', help="Syntax is {pure_mid}-{rid1}-{rid2}. From top to bottom, build the universe until reaction {rid1}, transport {rid2} and metabolite {pure_mid} are reached.")
81
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  parsedb_parser.add_argument("--onlyauthor", metavar='', type=str, default='-', help="Build the universe by parsing contents of the specified author ID only. Contents affected by --goodbefore are parsed anyway.")
82
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  parsedb_parser.add_argument("--nofigs", action='store_true', help="Do not generate figures.")
83
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  parsedb_parser.add_argument("-j", "--justparse", action='store_true', help="Just parse the database without performing extra activities (saves time during universe expansion).")
85
+ parsedb_parser.add_argument("-d", "--keepdisconn", action='store_true', help="Do not remove disconnected metabolites.")
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@@ -243,7 +243,99 @@ def format_expansion(logger, eggnog):
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246
-
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-
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-
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-
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+ def check_taxon(logger, taxon, idcollection_dict):
247
+
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+
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+ # verify presence of needed assets
250
+ if 'ko_to_taxa' not in idcollection_dict.keys():
251
+ logger.error(f"Asset 'ko_to_taxa' not found in 'gsrap.maps'. Please update 'gsrap.maps' with 'gsrap getmaps'.")
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+ return 1
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+
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+
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+ # extract level and name
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+ try: level, name = taxon.split(':')
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+ except:
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+ logger.error(f"Provided --taxon is not well formatted: '{taxon}'.")
259
+ return 1
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+
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+
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+ # compute available levels and check
263
+ avail_levels = set(['kingdom', 'phylum'])
264
+ if level not in avail_levels:
265
+ logger.error(f"Provided level is not acceptable: '{level}' (see --taxon). Acceptable levels are {avail_levels}.")
266
+ return 1
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+
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+
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+ # compute available taxa at input level
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+ avail_taxa_at_level = set()
271
+ ko_to_taxa = idcollection_dict['ko_to_taxa']
272
+ for ko in ko_to_taxa.keys():
273
+ for taxon_name in ko_to_taxa[ko][level]:
274
+ avail_taxa_at_level.add(taxon_name)
275
+ if name not in avail_taxa_at_level:
276
+ logger.error(f"Provided taxon name is not acceptable: '{name}' (see --taxon). Acceptable taxon names for level '{level}' are {avail_taxa_at_level}.")
277
+ return 1
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+
279
+
280
+ """
281
+ sorted(list(df.query("kingdom == 'Bacteria'")['phylum'].unique()))
282
+ ['Acidobacteriota',
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+ 'Actinomycetota',
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+ 'Alphaproteobacteria',
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+ 'Aquificota',
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+ 'Armatimonadota',
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+ 'Atribacterota',
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+ 'Bacilli',
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+ 'Bacteria incertae sedis',
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+ 'Bacteroidota',
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+ 'Balneolota',
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+ 'Bdellovibrionota',
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+ 'Betaproteobacteria',
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+ 'Caldisericota',
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+ 'Calditrichota',
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+ 'Campylobacterota',
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+ 'Chlamydiota',
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+ 'Chlorobiota',
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+ 'Chloroflexota',
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+ 'Chrysiogenota',
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+ 'Cloacimonadota',
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+ 'Clostridia',
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+ 'Coprothermobacterota',
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+ 'Cyanobacteriota',
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+ 'Deferribacterota',
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+ 'Deinococcota',
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+ 'Deltaproteobacteria',
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+ 'Dictyoglomota',
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+ 'Elusimicrobiota',
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+ 'Enterobacteria',
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+ 'Fibrobacterota',
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+ 'Fidelibacterota',
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+ 'Fusobacteriota',
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+ 'Gemmatimonadota',
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+ 'Ignavibacteriota',
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+ 'Kiritimatiellota',
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+ 'Lentisphaerota',
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+ 'Melainabacteria',
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+ 'Mycoplasmatota',
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+ 'Myxococcota',
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+ 'Nitrospinota',
322
+ 'Nitrospirota',
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+ 'Omnitrophota',
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+ 'Planctomycetota',
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+ 'Rhodothermota',
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+ 'Spirochaetota',
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+ 'Synergistota',
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+ 'Thermodesulfobacteriota',
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+ 'Thermodesulfobiota',
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+ 'Thermomicrobiota',
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+ 'Thermosulfidibacterota',
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+ 'Thermotogota',
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+ 'Verrucomicrobiota',
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+ 'Vulcanimicrobiota',
335
+ 'other Bacillota',
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+ 'other Gammaproteobacteria',
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+ 'other Pseudomonadota',
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+ 'unclassified Bacteria']
339
+ """
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+
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+ return 0
@@ -0,0 +1,108 @@
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+ import warnings
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+ import logging
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+
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+
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+ import cobra
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+
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+
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+
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+ def print_json_tree(data, level=0, max_level=2):
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+ # explore contents of a json object
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+
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+ if level > max_level:
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+ return
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+ indent = ' ' * level
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+ if isinstance(data, dict):
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+ for key, value in data.items():
17
+ print(f"{indent}{key}")
18
+ print_tree(value, level + 1, max_level)
19
+ elif isinstance(data, list):
20
+ for i, item in enumerate(data):
21
+ print(f"{indent}[{i}]")
22
+ print_tree(item, level + 1, max_level)
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+
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+
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+
26
+ def count_undrawn_rids(logger, universe, lastmap, focus):
27
+
28
+
29
+ rids = set([r.id for r in universe.reactions])
30
+
31
+ drawn_rids = set()
32
+ for key, value in lastmap['json'][1]['reactions'].items():
33
+ drawn_rids.add(value['bigg_id'])
34
+
35
+
36
+ remainings = rids - drawn_rids
37
+ filename = lastmap['filename']
38
+ logger.debug(f"Last universal map version detected: '{filename}'.")
39
+ if len(remainings) > 0:
40
+ logger.warning(f"Our universal map is {len(remainings)} reactions behind. Please draw!")
41
+ if focus == '-':
42
+ logger.warning(f"Drawing is eased when using '--focus'...")
43
+ else:
44
+ logger.info(f"Our universal map is {len(remainings)} reactions behind. Thank you ♥")
45
+
46
+
47
+
48
+ def count_undrawn_rids_focus(logger, universe, lastmap, focus, outdir):
49
+
50
+
51
+ # get modeled reads for this --focus:
52
+ rids = set()
53
+ try: gr = universe.groups.get_by_id(focus)
54
+ except:
55
+ logger.warning(f"Group '{focus}' not found!")
56
+ return
57
+ for r in gr.members:
58
+ rids.add(r.id)
59
+
60
+
61
+ # get rids on Escher:
62
+ drawn_rids = set()
63
+ for key, value in lastmap['json'][1]['reactions'].items():
64
+ drawn_rids.add(value['bigg_id'])
65
+
66
+
67
+ # get remaining rids for this map:
68
+ remainings = rids - drawn_rids
69
+ remainings_krs = set()
70
+ for rid in remainings:
71
+ r = universe.reactions.get_by_id(rid)
72
+ krs = r.annotation['kegg.reaction']
73
+ for kr in krs:
74
+ remainings_krs.add(kr)
75
+
76
+
77
+ if len(remainings) > 0:
78
+ if focus != 'transport':
79
+ logger.warning(f"Focusing on '{focus}', our universal map is {len(remainings)} reactions behind: {' '.join(list(remainings_krs))}.")
80
+ else:
81
+ logger.warning(f"Focusing on '{focus}', our universal map is {len(remainings)} reactions behind.") # usually no kegg codes for tranport reactions
82
+
83
+
84
+ # subset the universe to ease the drawing:
85
+ universe_focus = universe.copy()
86
+ to_remove = [r for r in universe_focus.reactions if r.id not in rids]
87
+
88
+
89
+ # trick to avoid the WARNING "cobra/core/group.py:147: UserWarning: need to pass in a list"
90
+ # triggered when trying to remove reactions that are included in groups.
91
+ with warnings.catch_warnings(): # temporarily suppress warnings for this block
92
+ warnings.simplefilter("ignore") # ignore all warnings
93
+ cobra_logger = logging.getLogger("cobra.util.solver")
94
+ old_level = cobra_logger.level
95
+ cobra_logger.setLevel(logging.ERROR)
96
+
97
+ universe_focus.remove_reactions(to_remove,remove_orphans=True)
98
+
99
+ # restore original behaviour:
100
+ cobra_logger.setLevel(old_level)
101
+
102
+
103
+ # save the subset for drawing in Escher!
104
+ logger.info(f"Writing '{outdir}/{focus}.json' to ease your drawing workflow...")
105
+ cobra.io.save_json_model(universe_focus, f'{outdir}/{focus}.json')
106
+ else:
107
+ logger.info(f"Focusing on '{focus}', our universal map is {len(remainings)} reactions behind. Thank you ♥")
108
+
@@ -148,7 +148,7 @@ def write_excel_model(model, filepath, nofigs, memote_results_dict, df_E, df_B,
148
148
  else: df_T.append(row_dict)
149
149
 
150
150
  for g in model.genes:
151
- row_dict = {'gid': g.id, 'involved_in': '; '.join([r.id for r in g.reactions])}
151
+ row_dict = {'gid': g.id, 'name': g.name, 'involved_in': '; '.join([r.id for r in g.reactions])}
152
152
 
153
153
  for db in g.annotation.keys():
154
154
  annots = g.annotation[db]
@@ -171,7 +171,7 @@ def write_excel_model(model, filepath, nofigs, memote_results_dict, df_E, df_B,
171
171
  df_R = df_R[df_R_first_cols + sorted([c for c in df_R.columns if c not in df_R_first_cols])]
172
172
  df_T = df_T[df_R_first_cols + sorted([c for c in df_T.columns if c not in df_R_first_cols])]
173
173
  df_A = df_A[df_R_first_cols + sorted([c for c in df_A.columns if c not in df_R_first_cols])]
174
- df_G_first_cols = ['gid', 'involved_in']
174
+ df_G_first_cols = ['gid', 'name', 'involved_in']
175
175
  df_G = df_G[df_G_first_cols + sorted([c for c in df_G.columns if c not in df_G_first_cols])]
176
176
 
177
177
 
@@ -243,7 +243,99 @@ def format_expansion(logger, eggnog):
243
243
 
244
244
 
245
245
 
246
-
247
-
248
-
249
-
246
+ def check_taxon(logger, taxon, idcollection_dict):
247
+
248
+
249
+ # verify presence of needed assets
250
+ if 'ko_to_taxa' not in idcollection_dict.keys():
251
+ logger.error(f"Asset 'ko_to_taxa' not found in 'gsrap.maps'. Please update 'gsrap.maps' with 'gsrap getmaps'.")
252
+ return 1
253
+
254
+
255
+ # extract level and name
256
+ try: level, name = taxon.split(':')
257
+ except:
258
+ logger.error(f"Provided --taxon is not well formatted: '{taxon}'.")
259
+ return 1
260
+
261
+
262
+ # compute available levels and check
263
+ avail_levels = set(['kingdom', 'phylum'])
264
+ if level not in avail_levels:
265
+ logger.error(f"Provided level is not acceptable: '{level}' (see --taxon). Acceptable levels are {avail_levels}.")
266
+ return 1
267
+
268
+
269
+ # compute available taxa at input level
270
+ avail_taxa_at_level = set()
271
+ ko_to_taxa = idcollection_dict['ko_to_taxa']
272
+ for ko in ko_to_taxa.keys():
273
+ for taxon_name in ko_to_taxa[ko][level]:
274
+ avail_taxa_at_level.add(taxon_name)
275
+ if name not in avail_taxa_at_level:
276
+ logger.error(f"Provided taxon name is not acceptable: '{name}' (see --taxon). Acceptable taxon names for level '{level}' are {avail_taxa_at_level}.")
277
+ return 1
278
+
279
+
280
+ """
281
+ sorted(list(df.query("kingdom == 'Bacteria'")['phylum'].unique()))
282
+ ['Acidobacteriota',
283
+ 'Actinomycetota',
284
+ 'Alphaproteobacteria',
285
+ 'Aquificota',
286
+ 'Armatimonadota',
287
+ 'Atribacterota',
288
+ 'Bacilli',
289
+ 'Bacteria incertae sedis',
290
+ 'Bacteroidota',
291
+ 'Balneolota',
292
+ 'Bdellovibrionota',
293
+ 'Betaproteobacteria',
294
+ 'Caldisericota',
295
+ 'Calditrichota',
296
+ 'Campylobacterota',
297
+ 'Chlamydiota',
298
+ 'Chlorobiota',
299
+ 'Chloroflexota',
300
+ 'Chrysiogenota',
301
+ 'Cloacimonadota',
302
+ 'Clostridia',
303
+ 'Coprothermobacterota',
304
+ 'Cyanobacteriota',
305
+ 'Deferribacterota',
306
+ 'Deinococcota',
307
+ 'Deltaproteobacteria',
308
+ 'Dictyoglomota',
309
+ 'Elusimicrobiota',
310
+ 'Enterobacteria',
311
+ 'Fibrobacterota',
312
+ 'Fidelibacterota',
313
+ 'Fusobacteriota',
314
+ 'Gemmatimonadota',
315
+ 'Ignavibacteriota',
316
+ 'Kiritimatiellota',
317
+ 'Lentisphaerota',
318
+ 'Melainabacteria',
319
+ 'Mycoplasmatota',
320
+ 'Myxococcota',
321
+ 'Nitrospinota',
322
+ 'Nitrospirota',
323
+ 'Omnitrophota',
324
+ 'Planctomycetota',
325
+ 'Rhodothermota',
326
+ 'Spirochaetota',
327
+ 'Synergistota',
328
+ 'Thermodesulfobacteriota',
329
+ 'Thermodesulfobiota',
330
+ 'Thermomicrobiota',
331
+ 'Thermosulfidibacterota',
332
+ 'Thermotogota',
333
+ 'Verrucomicrobiota',
334
+ 'Vulcanimicrobiota',
335
+ 'other Bacillota',
336
+ 'other Gammaproteobacteria',
337
+ 'other Pseudomonadota',
338
+ 'unclassified Bacteria']
339
+ """
340
+
341
+ return 0
@@ -0,0 +1,108 @@
1
+ import warnings
2
+ import logging
3
+
4
+
5
+ import cobra
6
+
7
+
8
+
9
+ def print_json_tree(data, level=0, max_level=2):
10
+ # explore contents of a json object
11
+
12
+ if level > max_level:
13
+ return
14
+ indent = ' ' * level
15
+ if isinstance(data, dict):
16
+ for key, value in data.items():
17
+ print(f"{indent}{key}")
18
+ print_tree(value, level + 1, max_level)
19
+ elif isinstance(data, list):
20
+ for i, item in enumerate(data):
21
+ print(f"{indent}[{i}]")
22
+ print_tree(item, level + 1, max_level)
23
+
24
+
25
+
26
+ def count_undrawn_rids(logger, universe, lastmap, focus):
27
+
28
+
29
+ rids = set([r.id for r in universe.reactions])
30
+
31
+ drawn_rids = set()
32
+ for key, value in lastmap['json'][1]['reactions'].items():
33
+ drawn_rids.add(value['bigg_id'])
34
+
35
+
36
+ remainings = rids - drawn_rids
37
+ filename = lastmap['filename']
38
+ logger.debug(f"Last universal map version detected: '{filename}'.")
39
+ if len(remainings) > 0:
40
+ logger.warning(f"Our universal map is {len(remainings)} reactions behind. Please draw!")
41
+ if focus == '-':
42
+ logger.warning(f"Drawing is eased when using '--focus'...")
43
+ else:
44
+ logger.info(f"Our universal map is {len(remainings)} reactions behind. Thank you ♥")
45
+
46
+
47
+
48
+ def count_undrawn_rids_focus(logger, universe, lastmap, focus, outdir):
49
+
50
+
51
+ # get modeled reads for this --focus:
52
+ rids = set()
53
+ try: gr = universe.groups.get_by_id(focus)
54
+ except:
55
+ logger.warning(f"Group '{focus}' not found!")
56
+ return
57
+ for r in gr.members:
58
+ rids.add(r.id)
59
+
60
+
61
+ # get rids on Escher:
62
+ drawn_rids = set()
63
+ for key, value in lastmap['json'][1]['reactions'].items():
64
+ drawn_rids.add(value['bigg_id'])
65
+
66
+
67
+ # get remaining rids for this map:
68
+ remainings = rids - drawn_rids
69
+ remainings_krs = set()
70
+ for rid in remainings:
71
+ r = universe.reactions.get_by_id(rid)
72
+ krs = r.annotation['kegg.reaction']
73
+ for kr in krs:
74
+ remainings_krs.add(kr)
75
+
76
+
77
+ if len(remainings) > 0:
78
+ if focus != 'transport':
79
+ logger.warning(f"Focusing on '{focus}', our universal map is {len(remainings)} reactions behind: {' '.join(list(remainings_krs))}.")
80
+ else:
81
+ logger.warning(f"Focusing on '{focus}', our universal map is {len(remainings)} reactions behind.") # usually no kegg codes for tranport reactions
82
+
83
+
84
+ # subset the universe to ease the drawing:
85
+ universe_focus = universe.copy()
86
+ to_remove = [r for r in universe_focus.reactions if r.id not in rids]
87
+
88
+
89
+ # trick to avoid the WARNING "cobra/core/group.py:147: UserWarning: need to pass in a list"
90
+ # triggered when trying to remove reactions that are included in groups.
91
+ with warnings.catch_warnings(): # temporarily suppress warnings for this block
92
+ warnings.simplefilter("ignore") # ignore all warnings
93
+ cobra_logger = logging.getLogger("cobra.util.solver")
94
+ old_level = cobra_logger.level
95
+ cobra_logger.setLevel(logging.ERROR)
96
+
97
+ universe_focus.remove_reactions(to_remove,remove_orphans=True)
98
+
99
+ # restore original behaviour:
100
+ cobra_logger.setLevel(old_level)
101
+
102
+
103
+ # save the subset for drawing in Escher!
104
+ logger.info(f"Writing '{outdir}/{focus}.json' to ease your drawing workflow...")
105
+ cobra.io.save_json_model(universe_focus, f'{outdir}/{focus}.json')
106
+ else:
107
+ logger.info(f"Focusing on '{focus}', our universal map is {len(remainings)} reactions behind. Thank you ♥")
108
+
@@ -148,7 +148,7 @@ def write_excel_model(model, filepath, nofigs, memote_results_dict, df_E, df_B,
148
148
  else: df_T.append(row_dict)
149
149
 
150
150
  for g in model.genes:
151
- row_dict = {'gid': g.id, 'involved_in': '; '.join([r.id for r in g.reactions])}
151
+ row_dict = {'gid': g.id, 'name': g.name, 'involved_in': '; '.join([r.id for r in g.reactions])}
152
152
 
153
153
  for db in g.annotation.keys():
154
154
  annots = g.annotation[db]
@@ -171,7 +171,7 @@ def write_excel_model(model, filepath, nofigs, memote_results_dict, df_E, df_B,
171
171
  df_R = df_R[df_R_first_cols + sorted([c for c in df_R.columns if c not in df_R_first_cols])]
172
172
  df_T = df_T[df_R_first_cols + sorted([c for c in df_T.columns if c not in df_R_first_cols])]
173
173
  df_A = df_A[df_R_first_cols + sorted([c for c in df_A.columns if c not in df_R_first_cols])]
174
- df_G_first_cols = ['gid', 'involved_in']
174
+ df_G_first_cols = ['gid', 'name', 'involved_in']
175
175
  df_G = df_G[df_G_first_cols + sorted([c for c in df_G.columns if c not in df_G_first_cols])]
176
176
 
177
177
 
@@ -4,6 +4,7 @@ import pickle
4
4
 
5
5
 
6
6
  from .kdown import download_raw_txtfiles
7
+ from .kdown import create_dict_keggorg
7
8
  from .kdown import create_dict_ko
8
9
  from .kdown import create_dict_c
9
10
  from .kdown import create_dict_r
@@ -20,13 +21,19 @@ def do_kdown(logger, outdir, usecache, keeptmp):
20
21
  logger.info(f"Respectfully retrieving metabolic information from KEGG. Raw data are being saved into '{outdir}/kdown/'. Be patient, could take a couple of days...")
21
22
  os.makedirs(f'{outdir}/kdown/', exist_ok=True)
22
23
 
24
+
23
25
  response = download_raw_txtfiles(logger, outdir, usecache)
24
26
  if type(response) == int: return 1
25
27
  else: RELEASE_kegg = response
26
28
 
29
+
27
30
 
28
31
  logger.info("Parsing downloaded KEGG information...")
29
-
32
+
33
+ response = create_dict_keggorg(logger, outdir)
34
+ if type(response) == int: return 1
35
+ else: dict_keggorg = response
36
+
30
37
  response = create_dict_ko(logger, outdir)
31
38
  if type(response) == int: return 1
32
39
  else: dict_ko = response
@@ -49,7 +56,7 @@ def do_kdown(logger, outdir, usecache, keeptmp):
49
56
 
50
57
 
51
58
  # create 'idcollection_dict' and 'summary_dict' dictionaries
52
- idcollection_dict = create_idcollection_dict(dict_ko, dict_c, dict_r, dict_map, dict_md)
59
+ idcollection_dict = create_idcollection_dict(dict_keggorg, dict_ko, dict_c, dict_r, dict_map, dict_md)
53
60
  summary_dict = create_summary_dict(dict_c, dict_r, dict_map, dict_md)
54
61
 
55
62
 
@@ -57,7 +64,6 @@ def do_kdown(logger, outdir, usecache, keeptmp):
57
64
 
58
65
 
59
66
 
60
-
61
67
  def main(args, logger):
62
68
 
63
69
 
@@ -67,7 +73,7 @@ def main(args, logger):
67
73
  os.makedirs(f'{args.outdir}/', exist_ok=True)
68
74
 
69
75
 
70
- # KEGG
76
+ # KEGG download
71
77
  response = do_kdown(logger, args.outdir, args.usecache, args.keeptmp)
72
78
  if type(response) == int: return 1
73
79
  else: RELEASE_kegg, idcollection_dict, summary_dict = response[0], response[1], response[2]
@@ -76,7 +82,9 @@ def main(args, logger):
76
82
  # create 'gsrap.maps':
77
83
  with open(f'{args.outdir}/gsrap.maps', 'wb') as wb_handler:
78
84
  pickle.dump({
79
- 'RELEASE_kegg': RELEASE_kegg, 'idcollection_dict': idcollection_dict, 'summary_dict': summary_dict,
85
+ 'RELEASE_kegg': RELEASE_kegg,
86
+ 'idcollection_dict': idcollection_dict,
87
+ 'summary_dict': summary_dict,
80
88
  }, wb_handler)
81
89
  logger.info(f"'{args.outdir}/gsrap.maps' created!")
82
90
 
@@ -87,4 +95,5 @@ def main(args, logger):
87
95
  logger.info(f"Temporary raw files deleted!")
88
96
 
89
97
 
98
+
90
99
  return 0