gsrap 0.7.0__py3-none-any.whl → 0.7.2__py3-none-any.whl
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.
- gsrap/.ipynb_checkpoints/__init__-checkpoint.py +34 -5
- gsrap/__init__.py +34 -5
- gsrap/commons/.ipynb_checkpoints/biomass-checkpoint.py +4 -0
- gsrap/commons/.ipynb_checkpoints/coeffs-checkpoint.py +1 -1
- gsrap/commons/.ipynb_checkpoints/excelhub-checkpoint.py +27 -3
- gsrap/commons/.ipynb_checkpoints/figures-checkpoint.py +105 -0
- gsrap/commons/.ipynb_checkpoints/fluxbal-checkpoint.py +1 -1
- gsrap/commons/biomass.py +4 -0
- gsrap/commons/coeffs.py +1 -1
- gsrap/commons/excelhub.py +27 -3
- gsrap/commons/figures.py +105 -0
- gsrap/commons/fluxbal.py +1 -1
- gsrap/mkmodel/.ipynb_checkpoints/gapfillutils-checkpoint.py +3 -0
- gsrap/mkmodel/.ipynb_checkpoints/mkmodel-checkpoint.py +11 -4
- gsrap/mkmodel/gapfillutils.py +3 -0
- gsrap/mkmodel/mkmodel.py +11 -4
- gsrap/parsedb/.ipynb_checkpoints/annotation-checkpoint.py +3 -0
- gsrap/parsedb/.ipynb_checkpoints/completeness-checkpoint.py +101 -65
- gsrap/parsedb/.ipynb_checkpoints/introduce-checkpoint.py +16 -1
- gsrap/parsedb/.ipynb_checkpoints/parsedb-checkpoint.py +4 -5
- gsrap/parsedb/.ipynb_checkpoints/repeating-checkpoint.py +7 -0
- gsrap/parsedb/annotation.py +3 -0
- gsrap/parsedb/completeness.py +101 -65
- gsrap/parsedb/introduce.py +16 -1
- gsrap/parsedb/parsedb.py +4 -5
- gsrap/parsedb/repeating.py +7 -0
- gsrap/runsims/.ipynb_checkpoints/simplegrowth-checkpoint.py +6 -7
- gsrap/runsims/simplegrowth.py +6 -7
- {gsrap-0.7.0.dist-info → gsrap-0.7.2.dist-info}/METADATA +3 -1
- {gsrap-0.7.0.dist-info → gsrap-0.7.2.dist-info}/RECORD +33 -31
- {gsrap-0.7.0.dist-info → gsrap-0.7.2.dist-info}/LICENSE.txt +0 -0
- {gsrap-0.7.0.dist-info → gsrap-0.7.2.dist-info}/WHEEL +0 -0
- {gsrap-0.7.0.dist-info → gsrap-0.7.2.dist-info}/entry_points.txt +0 -0
gsrap/parsedb/introduce.py
CHANGED
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@@ -141,6 +141,10 @@ def introduce_metabolites(logger, db, model, idcollection_dict, kegg_compound_to
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# save as list:
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for ankey in ankeys:
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m.annotation[ankey] = list(m.annotation[ankey])
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# add SBO annotation
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m.annotation['sbo'] = ['SBO:0000247'] # generic metabolite
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@@ -264,7 +268,8 @@ def introduce_transporters(logger, db, model, idcollection_dict, kegg_reaction_t
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m_e.name = m_c.name
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m_e.formula = m_c.formula
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m_e.charge = m_c.charge
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-
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m_e.annotation = m_c.annotation # transfer all annotations, including SBO!
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def add_exchange_reaction(model, mid_e):
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@@ -283,6 +288,10 @@ def introduce_transporters(logger, db, model, idcollection_dict, kegg_reaction_t
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r.bounds = (-1000, 1000)
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else:
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r.bounds = (0, 1000)
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# add SBO annotation
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r.annotation['sbo'] = ['SBO:0000627'] # exchange reaction
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@@ -418,6 +427,9 @@ def introduce_sinks_demands(logger, model):
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r.name = f"Sink for {model.metabolites.get_by_id(f'{puremid}_c').name}"
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r.build_reaction_from_string(f'{puremid}_c <=> ')
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r.bounds = (-1000, 1000)
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# add SBO annotation
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r.annotation['sbo'] = ['SBO:0000632'] # sink reaction
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for puremid in demands:
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@@ -427,6 +439,9 @@ def introduce_sinks_demands(logger, model):
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r.name = f"Demand for {model.metabolites.get_by_id(f'{puremid}_c').name}"
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r.build_reaction_from_string(f'{puremid}_c --> ')
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r.bounds = (0, 1000)
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# add SBO annotation
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r.annotation['sbo'] = ['SBO:0000628'] # demand reaction
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return model
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gsrap/parsedb/parsedb.py
CHANGED
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@@ -113,7 +113,7 @@ def main(args, logger):
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###### RECONSTRUCTION
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# create the model
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universe = cobra.Model('
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universe = cobra.Model('universe')
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logger.info("Parsing gsrap database...")
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# introduce M / R / T
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###### CHECKS 1
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# check universe completness
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-
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-
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if response==1: return 1
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df_C = check_completeness(logger, universe, args.progress, args.module, args.focus, args.eggnog, idcollection_dict, summary_dict)
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if type(df_C)==int: return 1
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@@ -194,7 +193,7 @@ def main(args, logger):
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cobra.io.write_sbml_model(universe, f'{args.outdir}/universe.xml') # groups are saved only to SBML
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logger.info(f"'{args.outdir}/universe.xml' created!")
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force_id_on_sbml(f'{args.outdir}/universe.xml', 'universe') # force introduction of the 'id=""' field
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sheets_dict = write_excel_model(universe, f'{args.outdir}/universe.parsedb.xlsx', df_E, None, None, df_S)
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sheets_dict = write_excel_model(universe, f'{args.outdir}/universe.parsedb.xlsx', args.nofigs, df_E, None, None, df_S, df_C)
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logger.info(f"'{args.outdir}/universe.parsedb.xlsx' created!")
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gsrap/parsedb/repeating.py
CHANGED
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@@ -125,6 +125,13 @@ def add_reaction(logger, model, rid, row, kr_ids, kegg_reaction_to_others, addty
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r.annotation[ankey] = list(r.annotation[ankey])
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# add SBO annotation
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if addtype=='R':
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r.annotation['sbo'] = ['SBO:0000176'] # metabolic reaction
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else:
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r.annotation['sbo'] = ['SBO:0000185'] # transport reaction
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# check if unbalanced
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if r.check_mass_balance() != {}:
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logger.error(f"{itemtype} '{r.id}' is unbalanced: {r.check_mass_balance()}.")
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@@ -12,9 +12,7 @@ from ..commons import verify_growth
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def grow_on_media(logger, model, dbexp, media, fva, universe_in_parsedb=False):
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if universe_in_parsedb:
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log_for_parsedb = []
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# check if requested
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res_fba = verify_growth(model, boolean=False)
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df_G.loc[obj_id, f'{medium}'] = res_fba
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if universe_in_parsedb:
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if res_fba == 'infeasible' or res_fba == 0.0:
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logger.warning(f"Growth on medium '{medium}': {res_fba}.")
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else:
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logger.info(f"Growth on medium '{medium}': {res_fba}.")
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# perform FVA if requested:
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for rid, row in df_fva.iterrows():
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df_G.loc[rid, f'{medium}'] = f"({round(row['minimum'], 3)}, {round(row['maximum'], 3)})"
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if universe_in_parsedb:
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logger.info(f"Results: {'; '.join(log_for_parsedb)}.")
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return df_G
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gsrap/runsims/simplegrowth.py
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def grow_on_media(logger, model, dbexp, media, fva, universe_in_parsedb=False):
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res_fba = verify_growth(model, boolean=False)
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df_G.loc[obj_id, f'{medium}'] = res_fba
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if res_fba == 'infeasible' or res_fba == 0.0:
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logger.warning(f"Growth on medium '{medium}': {res_fba}.")
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logger.info(f"Growth on medium '{medium}': {res_fba}.")
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df_G.loc[rid, f'{medium}'] = f"({round(row['minimum'], 3)}, {round(row['maximum'], 3)})"
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Metadata-Version: 2.3
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Name: gsrap
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Version: 0.7.
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Version: 0.7.2
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Summary:
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License: GNU General Public License v3.0
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Author: Gioele Lazzari
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Requires-Dist: colorlog (>=6.9.0)
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Requires-Dist: gdown (>=5.2.0)
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Requires-Dist: gempipe (>=1.38.1)
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Requires-Dist: matplotlib (>=3.9.0)
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Requires-Dist: memote (>=0.17.0)
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Requires-Dist: openpyxl (>=3.1.0)
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Requires-Dist: pandas (>=2.0.0)
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Requires-Dist: xlsxwriter (>=3.1.0)
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Description-Content-Type: text/markdown
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Source code for `gsrap`.
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gsrap/.ipynb_checkpoints/__init__-checkpoint.py,sha256=
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gsrap/__init__.py,sha256=
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gsrap/.ipynb_checkpoints/__init__-checkpoint.py,sha256=nTCojQmYOSv1tRDBEZu7p2Ne_jB9xTUEIylln19tHkk,13818
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gsrap/__init__.py,sha256=nTCojQmYOSv1tRDBEZu7p2Ne_jB9xTUEIylln19tHkk,13818
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gsrap/assets/.ipynb_checkpoints/PM1-checkpoint.csv,sha256=0qjaMVG_t9aFxbHbxON6ecmEUnWPwN9nhmxc61QFeCU,8761
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gsrap/assets/.ipynb_checkpoints/PM2A-checkpoint.csv,sha256=rjYTdwe8lpRS552BYiUP3J71juG2ywVdR5Sux6fjZTY,8816
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gsrap/assets/.ipynb_checkpoints/PM3B-checkpoint.csv,sha256=42IGX_2O5bRYSiHoMuVKT-T-bzVj0cSRZBvGOrbnQMA,8130
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@@ -12,23 +12,25 @@ gsrap/assets/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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gsrap/assets/kegg_compound_to_others.pickle,sha256=pz1897cfQ7PLsYZiBVcoMQPzvRzT-nHUdgphBe0g5ZQ,8233860
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gsrap/assets/kegg_reaction_to_others.pickle,sha256=AGW8CGN5hKeXZoYn3JRF4Xu832WyNrTlMcLw7luttlc,1703146
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gsrap/commons/.ipynb_checkpoints/__init__-checkpoint.py,sha256=P_rdjFcL_FjkKYT3a0IJiQTzWL7p2Hm6z-hjuCZEHgU,216
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gsrap/commons/.ipynb_checkpoints/biomass-checkpoint.py,sha256=
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gsrap/commons/.ipynb_checkpoints/coeffs-checkpoint.py,sha256=
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gsrap/commons/.ipynb_checkpoints/biomass-checkpoint.py,sha256=4u7WBaUgo42tBoXDU1D0VUjICatb44e0jfswZrBeHYs,17987
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gsrap/commons/.ipynb_checkpoints/coeffs-checkpoint.py,sha256=qI3_GuqHkeA2KbK9pYdkqJaFwYemAVZJGLRR4QtHt6w,19182
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gsrap/commons/.ipynb_checkpoints/downloads-checkpoint.py,sha256=JFrOYXrzLFhclwMtLmq8xo0QZVyjEn7QfzaTRad7y6I,8460
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gsrap/commons/.ipynb_checkpoints/escherutils-checkpoint.py,sha256=lftRIKAbP4eztaZM83V3LKWZK4DtKDuCiC9A46paVoM,1148
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gsrap/commons/.ipynb_checkpoints/excelhub-checkpoint.py,sha256=
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gsrap/commons/.ipynb_checkpoints/
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gsrap/commons/.ipynb_checkpoints/excelhub-checkpoint.py,sha256=wQKAyWZxfy9w_uhR_DzBZz0v7vdiVM-PGDA3k1TOraI,6622
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gsrap/commons/.ipynb_checkpoints/figures-checkpoint.py,sha256=qIjyMMFrm7AkUkdYY4ZZ8SjprUfoC3brW34oHRQvNQk,3689
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gsrap/commons/.ipynb_checkpoints/fluxbal-checkpoint.py,sha256=jgC3-vI9Tbjvqohh2mJwFra4rl_pbUzHWrSa_QAxVO4,1262
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gsrap/commons/.ipynb_checkpoints/logutils-checkpoint.py,sha256=VsnrkIsUftS3MOOwAd0n0peQ7a2X5ZEx930eCtzmW7g,1317
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gsrap/commons/.ipynb_checkpoints/medium-checkpoint.py,sha256=VYKN8X1PNERP6uQDbznZXfgflLEvnw4j1T8AIAdrE7s,2902
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gsrap/commons/.ipynb_checkpoints/metrics-checkpoint.py,sha256=gvqF2c0e31m5qQWQ11JF4-eMqxtuONy_7lUiC7uaXX4,3291
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gsrap/commons/.ipynb_checkpoints/sbmlutils-checkpoint.py,sha256=gkY02qbGXrbYStn2F8J0KM0fmqati2Nbvi128EF7coI,365
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gsrap/commons/__init__.py,sha256=P_rdjFcL_FjkKYT3a0IJiQTzWL7p2Hm6z-hjuCZEHgU,216
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gsrap/commons/biomass.py,sha256=
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gsrap/commons/coeffs.py,sha256=
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gsrap/commons/biomass.py,sha256=4u7WBaUgo42tBoXDU1D0VUjICatb44e0jfswZrBeHYs,17987
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gsrap/commons/coeffs.py,sha256=qI3_GuqHkeA2KbK9pYdkqJaFwYemAVZJGLRR4QtHt6w,19182
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gsrap/commons/downloads.py,sha256=JFrOYXrzLFhclwMtLmq8xo0QZVyjEn7QfzaTRad7y6I,8460
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gsrap/commons/escherutils.py,sha256=lftRIKAbP4eztaZM83V3LKWZK4DtKDuCiC9A46paVoM,1148
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gsrap/commons/excelhub.py,sha256=
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gsrap/commons/
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gsrap/commons/excelhub.py,sha256=wQKAyWZxfy9w_uhR_DzBZz0v7vdiVM-PGDA3k1TOraI,6622
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gsrap/commons/figures.py,sha256=qIjyMMFrm7AkUkdYY4ZZ8SjprUfoC3brW34oHRQvNQk,3689
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gsrap/commons/fluxbal.py,sha256=jgC3-vI9Tbjvqohh2mJwFra4rl_pbUzHWrSa_QAxVO4,1262
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gsrap-0.7.2.dist-info/METADATA,sha256=bZQ9_fiR3Fo5_mUcnWD4GgMRYtFDjO0LG74yxtjSkBs,898
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gsrap-0.7.2.dist-info/WHEEL,sha256=b4K_helf-jlQoXBBETfwnf4B04YC67LOev0jo4fX5m8,88
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gsrap-0.7.2.dist-info/entry_points.txt,sha256=S9MY0DjfnbKGlZbp5bV7W6dNFy3APoEV84u9x6MV1eI,36
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gsrap-0.7.2.dist-info/RECORD,,
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