# -*- coding: utf-8 -*-
"""
Description:
The standard output of meneco return ids of reactions corresponding to the solution for gapfilling.
The ids are those from the sbml and so they are encoded.
This script extract the solution corresponding to the union of reactions
"Computing union of reactions from all completion"
Based on padmetRef return a file with more information for each reaction.
ex: RXN__45__5
RXN-5, common_name, ec-number, Formula (with id),Formula (with cname),Action,Comment
Also, the output can be used as input of the script update_padmetSpec.py
In the column Action: 'add' => To add the reaction, '' => to do nothing
Comment: the reason of adding the reaction (ex: added for gap-filling by meneco)
::
usage:
enhanced_meneco_output.py --meneco_output=FILE --padmetRef=FILE --output=FILE [-v]
options:
-h --help Show help.
--meneco_output=FILE pathname of a meneco run' result
--padmetRef=FILE path to padmet file corresponding to the database of reference (the repair network)
--output=FILE path to tsv output file
"""
from padmet.classes import PadmetRef
from padmet.utils.sbmlPlugin import get_all_decoded_version
import docopt
[docs]def main():
args = docopt.docopt(__doc__)
meneco_output_file = args["--meneco_output"]
output = args["--output"]
verbose = args["-v"]
padmetRef = PadmetRef(args["--padmetRef"])
enhanced_meneco_output(meneco_output_file, padmetRef, output, verbose)
[docs]def enhanced_meneco_output(meneco_output_file, padmetRef, output, verbose=False):
"""
The standard output of meneco return ids of reactions corresponding to the solution for gapfilling.
The ids are those from the sbml and so they are encoded.
This script extract the solution corresponding to the union of reactions
"Computing union of reactions from all completion"
Based on padmetRef return a file with more information for each reaction.
ex: RXN__45__5
RXN-5, common_name, ec-number, Formula (with id),Formula (with cname),Action,Comment
Also, the output can be used as input for manual_curation
In the column Action: 'add' => To add the reaction, '' => to do nothing
Comment: the reason of adding the reaction (ex: added for gap-filling by meneco)
Parameters
----------
meneco_output_file: str
pathname of a meneco run' result
padmetRef: padmet.padmetRef
path to padmet file corresponding to the database of reference (the repair network)
output: str
path to tsv output file
verbose: bool
if True print information
"""
with open(meneco_output_file,'r') as f:
#recovering union reactions
file_in_array = f.read().splitlines()
start_index = None
for line in file_in_array:
if line.startswith("Computing union of reactions from all completion"):
start_index = file_in_array.index(line) + 1
#recover reactions, delete ' " ' and space.
if start_index is None:
print("No line starting with: Computing union of reactions from all completion. Enable to extracts reactions")
#return
encoded_reactions = [line.strip().replace("\"","")
for line in file_in_array[start_index:]]
nb_reactions = len(encoded_reactions)
if verbose: print("%s reactions to check" %nb_reactions)
with open(output,'w') as f:
header = ["idRef","Common name","EC-number","Formula (with id)","Formula (with cname)","Action","Comment", "Genes"]
header = "\t".join(header)+"\n"
f.write(header)
for encoded_id in encoded_reactions:
decoded_reactions = get_all_decoded_version(encoded_id, "reaction")
reaction_id = set(decoded_reactions).intersection(set(padmetRef.dicOfNode.keys()))
if reaction_id:
reaction_id = list(reaction_id)[0]
reac_node = padmetRef.dicOfNode[reaction_id]
try:
ec = reac_node.misc["EC_NUMBER"][0]
except KeyError:
ec = "Unknown"
try:
common_name = reac_node.misc["COMMON_NAME"][0]
except KeyError:
common_name = "Unknown"
direction = reac_node.misc["DIRECTION"][0]
if direction == "REVERSIBLE":
direction = " <=> "
elif direction == "LEFT-TO-RIGHT":
direction = " => "
else:
direction = " =>/<=> "
id_reactants = [rlt.misc["STOICHIOMETRY"][0]+" "+rlt.id_out+"["+rlt.misc["COMPARTMENT"][0]+"]"
for rlt in padmetRef.dicOfRelationIn.get(reaction_id,None)
if rlt.type == "consumes"]
id_products = [rlt.misc["STOICHIOMETRY"][0]+" "+rlt.id_out+"["+rlt.misc["COMPARTMENT"][0]+"]"
for rlt in padmetRef.dicOfRelationIn.get(reaction_id,None)
if rlt.type == "produces"]
idRef_formula = " + ".join(id_reactants)+direction+" + ".join(id_products)
try:
cname_reactants = [rlt.misc["STOICHIOMETRY"][0]+" "+padmetRef.dicOfNode[rlt.id_out].misc["COMMON_NAME"][0]+"["+rlt.misc["COMPARTMENT"][0]+"]"
for rlt in padmetRef.dicOfRelationIn.get(reaction_id,None)
if rlt.type == "consumes"]
cname_products = [rlt.misc["STOICHIOMETRY"][0]+" "+padmetRef.dicOfNode[rlt.id_out].misc["COMMON_NAME"][0]+"["+rlt.misc["COMPARTMENT"][0]+"]"
for rlt in padmetRef.dicOfRelationIn.get(reaction_id,None)
if rlt.type == "produces"]
cname_formula = " + ".join(cname_reactants)+direction+" + ".join(cname_products)
except KeyError:
cname_formula = ""
line = [reaction_id, common_name, ec, idRef_formula, cname_formula, "add", "Added for gapfilling", ""]
line = "\t".join(line)+"\n"
f.write(line)
else:
print("%s not found in padmetRef" %reaction_id)
pass
if __name__ == "__main__":
main()