tests.model.apis.test_pubchem_api.TestPubchemData.test() - Code Metrics - Inspection of "feat: massive changes" - dmyersturnbull/mandos - Measure and Improve Code Quality continuously with Scrutinizer

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Push — main ( ddff4b...7b3fbc )

by Douglas

created 2021-06-30 04:47 UTC

TestPubchemData.test() A

↳ Parent: tests.model.apis.test_pubchem_api

Complexity

Conditions

Size

Total Lines	2
Code Lines	2

Duplication

Lines	0
Ratio	0 %

Importance

Changes

Metric	Value
cc	1
eloc	2
nop	1
dl	0
loc	2
rs	10
c	0
b	0
f	0

from datetime import date


import pytest


from mandos.model.apis.caching_pubchem_api import CachingPubchemApi
from mandos.model.apis.pubchem_support.pubchem_models import (
    Codes,
    CoOccurrenceType,
    AtcCode,
    ChemicalGeneInteraction,
    DrugbankDdi,
    DrugGeneInteraction,
    CoOccurrence,
    Activity,
    Bioactivity,
    AcuteEffectEntry,
)

from tests import get_test_resource


class TestPubchemData:

    def test(self):

        pass  # nav = PubchemData()


class TestPubchemApi:

    def test(self):
class Foo:
    def some_method(self, x, y):
        return x + y;
        path = get_test_resource("pchem_store")
        querier = CachingPubchemApi(path, None, compress=False)
        x = querier.fetch_data("PIQVDUKEQYOJNR-VZXSFKIWSA-N")

        assert x.cid == 446220
        assert x.parent_or_self == 446220
        title = x.title_and_summary
        assert title.safety is not None
        assert title.safety == {"Irritant", "Acute Toxic"}
        props = x.chemical_and_physical_properties
        assert props.computed is not None
        assert 0 < len(props.computed) < 40
        drug = x.drug_and_medication_information
        assert drug.indication_summary_drugbank == "Cocaine has indications."
        assert drug.livertox_classes == {"Central Nervous System Stimulants"}
        assert drug.indication_summary_livertox == "Cocaine is a benzoid acid ester."
        # assert drug.clinical_trials == set()
        pharm = x.pharmacology_and_biochemistry
        assert (
            pharm.summary_drugbank_text
            == "From DrugBank Pharmacology: Cocaine is a local anesthetic."
        )
        assert pharm.summary_ncit_text == "From NCIt: Cocaine is a tropane alkaloid."
        assert pharm.summary_ncit_links == frozenset({"cocaineish", "somencitthing"})
        assert pharm.mesh == frozenset(
            {"Dopamine Uptake Inhibitors", "Anesthetics, Local", "Vasoconstrictor Agents"}
        )
        assert pharm.atc == frozenset(
            {
                AtcCode(code="S02D", name="Other otologicals"),
                AtcCode(code="R02A", name="Throat preparations"),
                AtcCode(code="N01BC01", name="Cocaine"),
                AtcCode(code="R", name="Respiratory system"),
                AtcCode(code="R02AD", name="Anesthetics, local"),
                AtcCode(code="R02", name="Throat preparations"),
                AtcCode(code="R02AD03", name="Cocaine"),
                AtcCode(code="S01", name="Ophthalmologicals"),
                AtcCode(code="S02DA", name="Analgesics and anesthetics"),
                AtcCode(code="N01B", name="Anesthetics, local"),
                AtcCode(code="S01HA", name="Local anesthetics"),
                AtcCode(code="N01BC", name="Esters of benzoic acid"),
                AtcCode(code="S02DA02", name="Cocaine"),
                AtcCode(code="N", name="Nervous system"),
                AtcCode(code="S01HA01", name="Cocaine"),
                AtcCode(code="S", name="Sensory organs"),
                AtcCode(code="S02", name="Otologicals"),
                AtcCode(code="S01H", name="Local anesthetics"),
                AtcCode(code="N01", name="Anesthetics"),
            }
        )
        assert pharm.moa_summary_drugbank_links == frozenset({"drugbankmoacocaine"})
        assert pharm.moa_summary_drugbank_text == "From DrugBank MOA: Cocaine anesthesia."
        assert pharm.moa_summary_hsdb_links == frozenset(
            {"fromhsdb:jwh133", "fromhsdb: hydrochloride"}
        )
        assert (
            pharm.moa_summary_hsdb_text
            == "From HSDB / lit: Cocaine is something. /// And something else."
        )
        assert pharm.biochem_reactions == frozenset({"Metabolism", "Biological oxidations"})
        safety = x.safety_and_hazards
        assert {g.code for g in safety.ghs_codes} == {"H311", "H301"}
        tox = x.toxicity
        acute_effects = sorted(list(tox.acute_effects), key=lambda e: e.gid)
        assert acute_effects == [
            AcuteEffectEntry(
                gid=67674952,
                effects=frozenset(),
                organism=Codes.ChemIdPlusOrganism("mouse"),
                test_type="LD50",
                route="subcutaneous",
                dose="250 mg/kg (250 mg/kg)",
            ),
            AcuteEffectEntry(
                gid=67674953,
                effects=frozenset({Codes.ChemIdPlusEffect("an effect: a sub-effect")}),
                organism=Codes.ChemIdPlusOrganism("infant"),
                test_type="LD50",
                route="intravenous",
                dose="17500 ug/kg (17.5 mg/kg)",
            ),
            AcuteEffectEntry(
                gid=67674954,
                effects=frozenset(
                    {
                        Codes.ChemIdPlusEffect("BEHAVIORAL: EXCITEMENT"),
                        Codes.ChemIdPlusEffect(
                            "BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD"
                        ),
                    }
                ),
                organism=Codes.ChemIdPlusOrganism("women"),
                test_type="LD50",
                route="oral",
                dose="99 mg/kg (99 mg/kg)",
            ),
        ]
        assert acute_effects[0].mg_per_kg == 250.0
        assert acute_effects[1].mg_per_kg == 17.5
        assert acute_effects[2].mg_per_kg == 99.0
        effect2_codes = list(sorted(acute_effects[2].effects))
        assert effect2_codes[0].category == "BEHAVIORAL"
        assert effect2_codes[0].subcategory == "CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD"
        assert effect2_codes[1].category == "BEHAVIORAL"
        assert effect2_codes[1].subcategory == "EXCITEMENT"
        assert not acute_effects[0].organism.is_human
        assert acute_effects[1].organism.is_human  # "infant"
        assert acute_effects[2].organism.is_human  # "women"
        lit = x.literature
        chem_co = lit.chemical_cooccurrences
        assert frozenset([c.strip_pubs() for c in chem_co]) == frozenset(
            {
                CoOccurrence(
                    neighbor_id="681",
                    neighbor_name="Dopamine",
                    kind=CoOccurrenceType.chemical,
                    article_count=4991,
                    query_article_count=37869,
                    neighbor_article_count=104868,
                    score=144197,
                    publications=frozenset(),
                )
            }
        )
        # TODO: test pubs

        gene_co = lit.gene_cooccurrences
        assert frozenset([c.strip_pubs() for c in gene_co]) == frozenset(
            {
                CoOccurrence(
                    neighbor_id="slc6a3",
                    neighbor_name="solute carrier family 6 member 3",
                    kind=CoOccurrenceType.gene,
                    article_count=1142,
                    query_article_count=9031,
                    neighbor_article_count=6295,
                    score=49087,
                    publications=frozenset(),
                )
            }
        )
        disease_co = lit.disease_cooccurrences
        assert frozenset([c.strip_pubs() for c in disease_co]) == frozenset(
            {
                CoOccurrence(
                    neighbor_id="D010146",
                    neighbor_name="Pain",
                    kind=CoOccurrenceType.disease,
                    article_count=524,
                    query_article_count=24423,
                    neighbor_article_count=159582,
                    score=12499,
                    publications=frozenset(),
                ),
                CoOccurrence(
                    neighbor_id="D019966",
                    neighbor_name="Substance-Related Disorders",
                    kind=CoOccurrenceType.disease,
                    article_count=8944,
                    query_article_count=24423,
                    neighbor_article_count=43314,
                    score=287471,
                    publications=frozenset(),
                ),
            }
        )
        bio = x.biomolecular_interactions_and_pathways
        assert bio.drug_gene_interactions == frozenset(
            {
                DrugGeneInteraction(
                    gene_name="OPRK1",
                    gene_claim_id="P41145",
                    source="TdgClinicalTrial",
                    interactions=frozenset(),
                    pmids=frozenset(),
                    dois=frozenset(),
                ),
                DrugGeneInteraction(
                    gene_name="DRD3",
                    gene_claim_id="P35462",
                    source="TEND",
                    interactions=frozenset(),
                    pmids=frozenset(),
                    dois=frozenset(),
                ),
                DrugGeneInteraction(
                    gene_name="SCN1A",
                    gene_claim_id="BE0004901",
                    source="DrugBank",
                    interactions=frozenset({"inhibitor"}),
                    pmids=frozenset({Codes.PubmedId("9876137"), Codes.PubmedId("2155033")}),
                    dois=frozenset(
                        {
                            Codes.Doi("10.1016/s0006-3495(90)82574-1"),
                            Codes.Doi("10.1016/s0006-3495(99)77192-4"),
                        }
                    ),
                ),
                DrugGeneInteraction(
                    gene_name="CNR1",
                    gene_claim_id="CNR1",
                    source="PharmGKB",
                    interactions=frozenset(),
                    pmids=frozenset(),
                    dois=frozenset(),
                ),
            }
        )
        assert bio.chemical_gene_interactions == frozenset(
            {
                ChemicalGeneInteraction(
                    gene_name=Codes.GeneId("CHRNB2"),
                    interactions=frozenset(
                        {"CHRNB2 protein results in increased susceptibility to Cocaine"}
                    ),
                    tax_id=10090,
                    tax_name="Mus musculus",
                    pmids=frozenset(),
                ),
                ChemicalGeneInteraction(
                    gene_name=Codes.GeneId("CHURC1"),
                    interactions=frozenset(
                        {"Cocaine results in decreased expression of CHURC1 mRNA"}
                    ),
                    tax_id=9606,
                    tax_name="Homo sapiens",
                    pmids=frozenset({Codes.PubmedId("16710320"), Codes.PubmedId("15009677")}),
                ),
            }
        )
        assert bio.drugbank_legal_groups == frozenset({"approved", "illicit"})
        assert bio.drugbank_ddis == frozenset(
            {
                DrugbankDdi(
                    drug_drugbank_id=Codes.DrugbankCompoundId("DB00007"),
                    drug_pubchem_id=Codes.PubchemCompoundId("657181"),
                    drug_drugbank_name="Leuprolide",
                    description="The risk or severity of QTc prolongation.",
                )
            }
        )
        test = x.biological_test_results
        assert test.bioactivity == frozenset(
            {
                Bioactivity(
                    assay_id=127361,
                    assay_type="confirmatory",
                    assay_ref="ChEMBL",
                    assay_name="Binding affinity towards human monoclonal antibody 2E2 using [3H]cocaine",

                    assay_made_date=date(2018, 9, 8),
                    gene_id=None,
                    tax_id=None,
                    pmid=Codes.PubmedId("14695827"),
                    activity=Activity.active,
                    activity_name="Ki",
                    activity_value=0.0035,
                    target_name=None,
                    compound_name="Cocaine",
                ),
                Bioactivity(
                    assay_id=127359,
                    assay_type="confirmatory",
                    assay_ref="ChEMBL",
                    assay_name="Dissociation Constant for human monoclonal antibody 2E2 with [3H]cocaine",

                    assay_made_date=date(2018, 9, 8),
                    gene_id=None,
                    tax_id=None,
                    pmid=Codes.PubmedId("14695827"),
                    activity=Activity.active,
                    activity_name="Kd",
                    activity_value=0.0044,
                    target_name=None,
                    compound_name="Cocaine",
                ),
            }
        )


if __name__ == "__main__":
    pytest.main()


1			from datetime import date
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2
3			import pytest
			0 ignored issues – show introduced 2021-01-25 23:06 UTC by Report Bug Copy Issue Report Unable to import 'pytest' Loading history...
4
5			from mandos.model.apis.caching_pubchem_api import CachingPubchemApi
6			from mandos.model.apis.pubchem_support.pubchem_models import (
7			Codes,
8			CoOccurrenceType,
9			AtcCode,
10			ChemicalGeneInteraction,
11			DrugbankDdi,
12			DrugGeneInteraction,
13			CoOccurrence,
14			Activity,
15			Bioactivity,
16			AcuteEffectEntry,
17			)
18
19			from tests import get_test_resource
20
21
22			class TestPubchemData:
			0 ignored issues – show introduced 2021-01-25 23:06 UTC by Report Bug Copy Issue Report Missing class docstring Loading history...
23			def test(self):
			0 ignored issues – show introduced 2021-01-25 23:06 UTC by Report Bug Copy Issue Report Missing function or method docstring Loading history...
24			pass # nav = PubchemData()
25
26
27			class TestPubchemApi:
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28			def test(self):
			0 ignored issues – show introduced 2021-01-25 23:06 UTC by Report Bug Copy Issue Report Missing function or method docstring Loading history... Comprehensibility introduced 2021-02-01 07:03 UTC by Report Bug Copy Issue Report This function exceeds the maximum number of variables (18/15). Loading history... Coding Style introduced 2021-01-25 23:06 UTC by Report Bug Copy Issue Report This method could be written as a function/class method. If a method does not access any attributes of the class, it could also be implemented as a function or static method. This can help improve readability. For example class Foo: def some_method(self, x, y): return x + y; could be written as class Foo: @classmethod def some_method(cls, x, y): return x + y; Loading history...
29			path = get_test_resource("pchem_store")
30			querier = CachingPubchemApi(path, None, compress=False)
31			x = querier.fetch_data("PIQVDUKEQYOJNR-VZXSFKIWSA-N")
			0 ignored issues – show Coding Style Naming introduced 2021-01-25 23:06 UTC by Report Bug Copy Issue Report Variable name "x" doesn't conform to snake_case naming style ('([^\\W\\dA-Z][^\\WA-Z]2,\|_[^\\WA-Z]*\|__[^\\WA-Z\\d_][^\\WA-Z]+__)$' pattern) This check looks for invalid names for a range of different identifiers. You can set regular expressions to which the identifiers must conform if the defaults do not match your requirements. If your project includes a Pylint configuration file, the settings contained in that file take precedence. To find out more about Pylint, please refer to their site. Loading history...
32			assert x.cid == 446220
33			assert x.parent_or_self == 446220
34			title = x.title_and_summary
35			assert title.safety is not None
36			assert title.safety == {"Irritant", "Acute Toxic"}
37			props = x.chemical_and_physical_properties
38			assert props.computed is not None
39			assert 0 < len(props.computed) < 40
40			drug = x.drug_and_medication_information
41			assert drug.indication_summary_drugbank == "Cocaine has indications."
42			assert drug.livertox_classes == {"Central Nervous System Stimulants"}
43			assert drug.indication_summary_livertox == "Cocaine is a benzoid acid ester."
44			# assert drug.clinical_trials == set()
45			pharm = x.pharmacology_and_biochemistry
46			assert (
47			pharm.summary_drugbank_text
48			== "From DrugBank Pharmacology: Cocaine is a local anesthetic."
49			)
50			assert pharm.summary_ncit_text == "From NCIt: Cocaine is a tropane alkaloid."
51			assert pharm.summary_ncit_links == frozenset({"cocaineish", "somencitthing"})
52			assert pharm.mesh == frozenset(
53			{"Dopamine Uptake Inhibitors", "Anesthetics, Local", "Vasoconstrictor Agents"}
54			)
55			assert pharm.atc == frozenset(
56			{
57			AtcCode(code="S02D", name="Other otologicals"),
58			AtcCode(code="R02A", name="Throat preparations"),
59			AtcCode(code="N01BC01", name="Cocaine"),
60			AtcCode(code="R", name="Respiratory system"),
61			AtcCode(code="R02AD", name="Anesthetics, local"),
62			AtcCode(code="R02", name="Throat preparations"),
63			AtcCode(code="R02AD03", name="Cocaine"),
64			AtcCode(code="S01", name="Ophthalmologicals"),
65			AtcCode(code="S02DA", name="Analgesics and anesthetics"),
66			AtcCode(code="N01B", name="Anesthetics, local"),
67			AtcCode(code="S01HA", name="Local anesthetics"),
68			AtcCode(code="N01BC", name="Esters of benzoic acid"),
69			AtcCode(code="S02DA02", name="Cocaine"),
70			AtcCode(code="N", name="Nervous system"),
71			AtcCode(code="S01HA01", name="Cocaine"),
72			AtcCode(code="S", name="Sensory organs"),
73			AtcCode(code="S02", name="Otologicals"),
74			AtcCode(code="S01H", name="Local anesthetics"),
75			AtcCode(code="N01", name="Anesthetics"),
76			}
77			)
78			assert pharm.moa_summary_drugbank_links == frozenset({"drugbankmoacocaine"})
79			assert pharm.moa_summary_drugbank_text == "From DrugBank MOA: Cocaine anesthesia."
80			assert pharm.moa_summary_hsdb_links == frozenset(
81			{"fromhsdb:jwh133", "fromhsdb: hydrochloride"}
82			)
83			assert (
84			pharm.moa_summary_hsdb_text
85			== "From HSDB / lit: Cocaine is something. /// And something else."
86			)
87			assert pharm.biochem_reactions == frozenset({"Metabolism", "Biological oxidations"})
88			safety = x.safety_and_hazards
89			assert {g.code for g in safety.ghs_codes} == {"H311", "H301"}
90			tox = x.toxicity
91			acute_effects = sorted(list(tox.acute_effects), key=lambda e: e.gid)
92			assert acute_effects == [
93			AcuteEffectEntry(
94			gid=67674952,
95			effects=frozenset(),
96			organism=Codes.ChemIdPlusOrganism("mouse"),
97			test_type="LD50",
98			route="subcutaneous",
99			dose="250 mg/kg (250 mg/kg)",
100			),
101			AcuteEffectEntry(
102			gid=67674953,
103			effects=frozenset({Codes.ChemIdPlusEffect("an effect: a sub-effect")}),
104			organism=Codes.ChemIdPlusOrganism("infant"),
105			test_type="LD50",
106			route="intravenous",
107			dose="17500 ug/kg (17.5 mg/kg)",
108			),
109			AcuteEffectEntry(
110			gid=67674954,
111			effects=frozenset(
112			{
113			Codes.ChemIdPlusEffect("BEHAVIORAL: EXCITEMENT"),
114			Codes.ChemIdPlusEffect(
115			"BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD"
116			),
117			}
118			),
119			organism=Codes.ChemIdPlusOrganism("women"),
120			test_type="LD50",
121			route="oral",
122			dose="99 mg/kg (99 mg/kg)",
123			),
124			]
125			assert acute_effects[0].mg_per_kg == 250.0
126			assert acute_effects[1].mg_per_kg == 17.5
127			assert acute_effects[2].mg_per_kg == 99.0
128			effect2_codes = list(sorted(acute_effects[2].effects))
129			assert effect2_codes[0].category == "BEHAVIORAL"
130			assert effect2_codes[0].subcategory == "CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD"
131			assert effect2_codes[1].category == "BEHAVIORAL"
132			assert effect2_codes[1].subcategory == "EXCITEMENT"
133			assert not acute_effects[0].organism.is_human
134			assert acute_effects[1].organism.is_human # "infant"
135			assert acute_effects[2].organism.is_human # "women"
136			lit = x.literature
137			chem_co = lit.chemical_cooccurrences
138			assert frozenset([c.strip_pubs() for c in chem_co]) == frozenset(
139			{
140			CoOccurrence(
141			neighbor_id="681",
142			neighbor_name="Dopamine",
143			kind=CoOccurrenceType.chemical,
144			article_count=4991,
145			query_article_count=37869,
146			neighbor_article_count=104868,
147			score=144197,
148			publications=frozenset(),
149			)
150			}
151			)
152			# TODO: test pubs
			0 ignored issues – show Coding Style introduced 2021-02-01 07:03 UTC by Report Bug Copy Issue Report `TODO` and `FIXME` comments should generally be avoided. Loading history...
153			gene_co = lit.gene_cooccurrences
154			assert frozenset([c.strip_pubs() for c in gene_co]) == frozenset(
155			{
156			CoOccurrence(
157			neighbor_id="slc6a3",
158			neighbor_name="solute carrier family 6 member 3",
159			kind=CoOccurrenceType.gene,
160			article_count=1142,
161			query_article_count=9031,
162			neighbor_article_count=6295,
163			score=49087,
164			publications=frozenset(),
165			)
166			}
167			)
168			disease_co = lit.disease_cooccurrences
169			assert frozenset([c.strip_pubs() for c in disease_co]) == frozenset(
170			{
171			CoOccurrence(
172			neighbor_id="D010146",
173			neighbor_name="Pain",
174			kind=CoOccurrenceType.disease,
175			article_count=524,
176			query_article_count=24423,
177			neighbor_article_count=159582,
178			score=12499,
179			publications=frozenset(),
180			),
181			CoOccurrence(
182			neighbor_id="D019966",
183			neighbor_name="Substance-Related Disorders",
184			kind=CoOccurrenceType.disease,
185			article_count=8944,
186			query_article_count=24423,
187			neighbor_article_count=43314,
188			score=287471,
189			publications=frozenset(),
190			),
191			}
192			)
193			bio = x.biomolecular_interactions_and_pathways
194			assert bio.drug_gene_interactions == frozenset(
195			{
196			DrugGeneInteraction(
197			gene_name="OPRK1",
198			gene_claim_id="P41145",
199			source="TdgClinicalTrial",
200			interactions=frozenset(),
201			pmids=frozenset(),
202			dois=frozenset(),
203			),
204			DrugGeneInteraction(
205			gene_name="DRD3",
206			gene_claim_id="P35462",
207			source="TEND",
208			interactions=frozenset(),
209			pmids=frozenset(),
210			dois=frozenset(),
211			),
212			DrugGeneInteraction(
213			gene_name="SCN1A",
214			gene_claim_id="BE0004901",
215			source="DrugBank",
216			interactions=frozenset({"inhibitor"}),
217			pmids=frozenset({Codes.PubmedId("9876137"), Codes.PubmedId("2155033")}),
218			dois=frozenset(
219			{
220			Codes.Doi("10.1016/s0006-3495(90)82574-1"),
221			Codes.Doi("10.1016/s0006-3495(99)77192-4"),
222			}
223			),
224			),
225			DrugGeneInteraction(
226			gene_name="CNR1",
227			gene_claim_id="CNR1",
228			source="PharmGKB",
229			interactions=frozenset(),
230			pmids=frozenset(),
231			dois=frozenset(),
232			),
233			}
234			)
235			assert bio.chemical_gene_interactions == frozenset(
236			{
237			ChemicalGeneInteraction(
238			gene_name=Codes.GeneId("CHRNB2"),
239			interactions=frozenset(
240			{"CHRNB2 protein results in increased susceptibility to Cocaine"}
241			),
242			tax_id=10090,
243			tax_name="Mus musculus",
244			pmids=frozenset(),
245			),
246			ChemicalGeneInteraction(
247			gene_name=Codes.GeneId("CHURC1"),
248			interactions=frozenset(
249			{"Cocaine results in decreased expression of CHURC1 mRNA"}
250			),
251			tax_id=9606,
252			tax_name="Homo sapiens",
253			pmids=frozenset({Codes.PubmedId("16710320"), Codes.PubmedId("15009677")}),
254			),
255			}
256			)
257			assert bio.drugbank_legal_groups == frozenset({"approved", "illicit"})
258			assert bio.drugbank_ddis == frozenset(
259			{
260			DrugbankDdi(
261			drug_drugbank_id=Codes.DrugbankCompoundId("DB00007"),
262			drug_pubchem_id=Codes.PubchemCompoundId("657181"),
263			drug_drugbank_name="Leuprolide",
264			description="The risk or severity of QTc prolongation.",
265			)
266			}
267			)
268			test = x.biological_test_results
269			assert test.bioactivity == frozenset(
270			{
271			Bioactivity(
272			assay_id=127361,
273			assay_type="confirmatory",
274			assay_ref="ChEMBL",
275			assay_name="Binding affinity towards human monoclonal antibody 2E2 using [3H]cocaine",
			0 ignored issues – show Coding Style introduced 2021-02-01 07:03 UTC by Report Bug Copy Issue Report This line is too long as per the coding-style (106/100). This check looks for lines that are too long. You can specify the maximum line length. Loading history...
276			assay_made_date=date(2018, 9, 8),
277			gene_id=None,
278			tax_id=None,
279			pmid=Codes.PubmedId("14695827"),
280			activity=Activity.active,
281			activity_name="Ki",
282			activity_value=0.0035,
283			target_name=None,
284			compound_name="Cocaine",
285			),
286			Bioactivity(
287			assay_id=127359,
288			assay_type="confirmatory",
289			assay_ref="ChEMBL",
290			assay_name="Dissociation Constant for human monoclonal antibody 2E2 with [3H]cocaine",
			0 ignored issues – show Coding Style introduced 2021-02-01 07:03 UTC by Report Bug Copy Issue Report This line is too long as per the coding-style (106/100). This check looks for lines that are too long. You can specify the maximum line length. Loading history...
291			assay_made_date=date(2018, 9, 8),
292			gene_id=None,
293			tax_id=None,
294			pmid=Codes.PubmedId("14695827"),
295			activity=Activity.active,
296			activity_name="Kd",
297			activity_value=0.0044,
298			target_name=None,
299			compound_name="Cocaine",
300			),
301			}
302			)
303
304
305			if __name__ == "__main__":
306			pytest.main()
307

dmyersturnbull / mandos

Push — main ( ddff4b...7b3fbc )

TestPubchemData.test() A

Complexity

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Duplication

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