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Added tests for CatalogTable.as_list_of_dicts (ersilia-os#1319)
* Implemented test case with empty and standard input.
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Daud Ahmed
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Oct 23, 2024
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[ | ||
{ | ||
"Identifier": "eos1579", | ||
"Slug": "metabokiller", | ||
"Title": "Carcinogenic potential of metabolites and small molecules" | ||
}, | ||
{ | ||
"Identifier": "eos157v", | ||
"Slug": "grover-freesolv", | ||
"Title": "Hydration free energy of small molecules in water" | ||
}, | ||
{ | ||
"Identifier": "eos18ie", | ||
"Slug": "antibiotics-ai", | ||
"Title": "Substructure-based search of novel antibiotics" | ||
}, | ||
{ | ||
"Identifier": "eos1af5", | ||
"Slug": "molgrad-caco2", | ||
"Title": "Coloring molecules for Caco-2 cell permeability" | ||
}, | ||
{ | ||
"Identifier": "eos1amn", | ||
"Slug": null, | ||
"Title": "3D pharmacophore descriptor" | ||
}, | ||
{ | ||
"Identifier": "eos1amr", | ||
"Slug": "grover-bbbp", | ||
"Title": "Blood-brain barrier penetration" | ||
}, | ||
{ | ||
"Identifier": "eos1bba", | ||
"Slug": null, | ||
"Title": "GeoGNN Molecular Representation Prediction" | ||
}, | ||
{ | ||
"Identifier": "eos1d7r", | ||
"Slug": "small-world-zinc", | ||
"Title": "Small World Zinc search" | ||
}, | ||
{ | ||
"Identifier": "eos1mxi", | ||
"Slug": "smiles-pe", | ||
"Title": "SmilesPE: tokenizer algorithm for SMILES, DeepSMILES, and SELFIES" | ||
}, | ||
{ | ||
"Identifier": "eos1n4b", | ||
"Slug": "hdac3-inh", | ||
"Title": "Identifying HDAC3 inhibitors" | ||
}, | ||
{ | ||
"Identifier": "eos1noy", | ||
"Slug": "chembl-sampler", | ||
"Title": "ChEMBL Molecular Sampler" | ||
}, | ||
{ | ||
"Identifier": "eos1pu1", | ||
"Slug": "cardiotox-dictrank", | ||
"Title": "Cardiotoxicity Classifier" | ||
}, | ||
{ | ||
"Identifier": "eos1ut3", | ||
"Slug": "molfeat-usrcat", | ||
"Title": "USR descriptors with pharmacophoric constraints" | ||
}, | ||
{ | ||
"Identifier": "eos1vms", | ||
"Slug": "chembl-multitask-descriptor", | ||
"Title": "Multi-target prediction based on ChEMBL data" | ||
}, | ||
{ | ||
"Identifier": "eos1xje", | ||
"Slug": "biogpt-embeddings", | ||
"Title": "BioGPT embeddings" | ||
}, | ||
{ | ||
"Identifier": "eos21q7", | ||
"Slug": "inter_dili", | ||
"Title": "InterDILI: drug-induced injury prediction" | ||
}, | ||
{ | ||
"Identifier": "eos22io", | ||
"Slug": "idl-ppbopt", | ||
"Title": "Human Plasma Protein Binding (PPB) of Compounds" | ||
}, | ||
{ | ||
"Identifier": "eos238c", | ||
"Slug": "mesh-therapeutic-use", | ||
"Title": "MeSH therapeutic use based on chemical structure" | ||
}, | ||
{ | ||
"Identifier": "eos2401", | ||
"Slug": "scaffold-decoration", | ||
"Title": "Scaffold decoration" | ||
}, | ||
{ | ||
"Identifier": "eos24ci", | ||
"Slug": "drugtax", | ||
"Title": "DrugTax: Drug taxonomy" | ||
} | ||
] |
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import json | ||
import os | ||
import pytest | ||
from ersilia.hub.content.catalog import CatalogTable | ||
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@pytest.fixture | ||
def catalog_samples(): | ||
file_path = os.path.join(os.path.dirname(__file__), 'inputs', 'catalog_samples.json') | ||
with open(file_path, 'r') as f: | ||
samples = json.load(f) | ||
return samples | ||
|
||
def test_as_list_of_dicts(catalog_samples): | ||
columns = ['Identifier', 'Slug', 'Title'] | ||
|
||
# Test with standard catalog samples | ||
catalog_table = CatalogTable(data=[list(item.values()) for item in catalog_samples], columns=columns) | ||
result = catalog_table.as_list_of_dicts() | ||
assert result == catalog_samples, "The result does not match the expected catalog samples" | ||
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# Test with empty catalog data | ||
catalog_table_empty = CatalogTable(data=[], columns=columns) | ||
result_empty = catalog_table_empty.as_list_of_dicts() | ||
assert result_empty == [], "The result should be an empty list for empty input data" |