Mercurial > repos > bimib > cobraxy
changeset 402:ccccb731c953 draft default tip
Uploaded
author | francesco_lapi |
---|---|
date | Sun, 07 Sep 2025 21:16:26 +0000 |
parents | 6c7ddf68381a |
children | |
files | COBRAxy/ras_generator.py COBRAxy/rps_generator.py COBRAxy/rps_generator.xml |
diffstat | 3 files changed, 27 insertions(+), 41 deletions(-) [+] |
line wrap: on
line diff
--- a/COBRAxy/ras_generator.py Sun Sep 07 20:29:23 2025 +0000 +++ b/COBRAxy/ras_generator.py Sun Sep 07 21:16:26 2025 +0000 @@ -28,7 +28,7 @@ description = "process some value's genes to create a comparison's map.") parser.add_argument("-rl", "--model_upload", type = str, - help = "path to input file with custom rules, if provided") + help = "path to input file containing the rules") parser.add_argument("-rn", "--model_upload_name", type = str, help = "custom rules name") # ^ I need this because galaxy converts my files into .dat but I need to know what extension they were in
--- a/COBRAxy/rps_generator.py Sun Sep 07 20:29:23 2025 +0000 +++ b/COBRAxy/rps_generator.py Sun Sep 07 21:16:26 2025 +0000 @@ -25,14 +25,11 @@ parser = argparse.ArgumentParser(usage = '%(prog)s [options]', description = 'process some value\'s'+ ' abundances and reactions to create RPS scores.') - parser.add_argument('-rc', '--reaction_choice', - type = str, - default = 'default', - choices = ['default','custom'], - help = 'chose which type of reaction dataset you want use') - parser.add_argument('-cm', '--custom', - type = str, - help='your dataset if you want custom reactions') + + parser.add_argument("-rl", "--model_upload", type = str, + help = "path to input file containing the reactions") + + # model_upload custom parser.add_argument('-td', '--tool_dir', type = str, required = True, @@ -205,7 +202,6 @@ cell_lines = dataset[0][1:] abundances_dict = {} - translationIsApplied = ARGS.reaction_choice == "default" for row in dataset[1:]: id = get_metabolite_id(row[0], syn_dict) #if translationIsApplied else row[0] if id: @@ -245,22 +241,22 @@ dataset = utils.readCsv(utils.FilePath.fromStrPath(ARGS.input), '\t', skipHeader = False) tmp_dict = None - if ARGS.reaction_choice == 'default': - reactions = pk.load(open(ARGS.tool_dir + '/local/pickle files/reactions.pickle', 'rb')) - substrateFreqTable = pk.load(open(ARGS.tool_dir + '/local/pickle files/substrate_frequencies.pickle', 'rb')) + #if ARGS.reaction_choice == 'default': + # reactions = pk.load(open(ARGS.tool_dir + '/local/pickle files/reactions.pickle', 'rb')) + # substrateFreqTable = pk.load(open(ARGS.tool_dir + '/local/pickle files/substrate_frequencies.pickle', 'rb')) - elif ARGS.reaction_choice == 'custom': - reactions = reactionUtils.parse_custom_reactions(ARGS.custom) - for r, s in reactions.items(): - tmp_list = list(s.keys()) - for k in tmp_list: - if k[-2] == '_': - s[k[:-2]] = s.pop(k) - substrateFreqTable = {} - for _, substrates in reactions.items(): - for substrateName, _ in substrates.items(): - if substrateName not in substrateFreqTable: substrateFreqTable[substrateName] = 0 - substrateFreqTable[substrateName] += 1 + #elif ARGS.reaction_choice == 'custom': + reactions = reactionUtils.parse_custom_reactions(ARGS.model_upload) + for r, s in reactions.items(): + tmp_list = list(s.keys()) + for k in tmp_list: + if k[-2] == '_': + s[k[:-2]] = s.pop(k) + substrateFreqTable = {} + for _, substrates in reactions.items(): + for substrateName, _ in substrates.items(): + if substrateName not in substrateFreqTable: substrateFreqTable[substrateName] = 0 + substrateFreqTable[substrateName] += 1 print(f"Reactions: {reactions}") print(f"Substrate Frequencies: {substrateFreqTable}")
--- a/COBRAxy/rps_generator.xml Sun Sep 07 20:29:23 2025 +0000 +++ b/COBRAxy/rps_generator.xml Sun Sep 07 21:16:26 2025 +0000 @@ -12,29 +12,19 @@ <command detect_errors="exit_code"> <![CDATA[ python $__tool_directory__/rps_generator.py - --input $input - --reaction_choice $cond_reactions.reaction_choice + --input $input --tool_dir $__tool_directory__ --out_log $log --rps_output $rps_output - #if $cond_reactions.reaction_choice == 'custom' - --custom $cond_reactions.Custom_react - #end if + --model_upload $model_upload ]]> </command> - <inputs> + <inputs> + <param name="model_upload" argument="--model_upload" type="data" format="csv,tsv,tabular" + label="Model rules file:" help="Upload a CSV/TSV file containing reaction rules generated by the Model Initialization tool." /> + <param name="input" argument="--input" type="data" format="tabular, tsv, csv" label="Abundance dataset:" /> <param name="name" argument="--name" type="text" label="Dataset's name:" value="Dataset_RPS" help="Default: Dataset_RPS. Do not use white spaces or special symbols." /> - - <conditional name="cond_reactions"> - <param name="reaction_choice" argument="--reaction_choice" type="select" label="Choose reaction dataset:"> - <option value="default" selected="true">ENGRO2 reaction dataset </option> - <option value="custom">Custom reaction dataset</option> - </param> - <when value="custom"> - <param name="Custom_react" type="data" format="csv" label="Custom reactions" /> - </when> - </conditional> </inputs> <outputs>