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Merge pull request #81 from xtrojak/release_v2.0
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Release v0.2.0
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xtrojak authored Mar 19, 2022
2 parents 959c288 + 8954a8d commit 1fc4022
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16 changes: 10 additions & 6 deletions CHANGELOG.md
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Expand Up @@ -6,15 +6,19 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0

## [dev] - unreleased
### Added
* BridgeDB supporting conversion of several database IDs
* ComputeConverter class for conversions based on computation instead of querying
* ConverterBuilder which validates and initialises converters
* reintroduced PubChem service using direct REST web interface
### Changed
* reorganised Converter class to support computation approach [#75](https://github.com/RECETOX/MSMetaEnhancer/issues/75)
* renamed PubChem service to IDSM to avoid confusion
### Removed

## [0.2.0] - 2022-03-19
### Added
* BridgeDB supporting conversion of several database IDs [#76](https://github.com/RECETOX/MSMetaEnhancer/issues/76)
* ComputeConverter class for conversions based on computation instead of querying [#75](https://github.com/RECETOX/MSMetaEnhancer/issues/75)
* ConverterBuilder which validates and initialises converters [#75](https://github.com/RECETOX/MSMetaEnhancer/issues/75)
* reintroduced PubChem service using direct REST web interface [#76](https://github.com/RECETOX/MSMetaEnhancer/issues/76)
### Changed
* reorganised Converter class to support computation approach [#75](https://github.com/RECETOX/MSMetaEnhancer/issues/75)
* renamed PubChem service to IDSM to avoid confusion [#73](https://github.com/RECETOX/MSMetaEnhancer/issues/73)

## [0.1.3] - 2022-02-15
### Added
* multidict package requirement
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7 changes: 4 additions & 3 deletions requirements.txt
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Expand Up @@ -5,9 +5,10 @@ mock~=4.0.3
aiohttp~=3.7.4.post0
asyncstdlib~=3.9.2
frozendict~=2.0.3
pytest~=6.2.4
pytest-aiohttp~=0.3.0
pytest-cov~=2.11.1
pytest
pytest-aiohttp
pytest-cov
pytest-dependency
tabulate~=0.8.9
sphinx==4.2.0
sphinx_rtd_theme==1.0.0
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2 changes: 1 addition & 1 deletion setup.py
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@@ -1,7 +1,7 @@
from setuptools import setup, find_packages

setup(name='MSMetaEnhancer',
version='0.1',
version='0.2',
description='Repository for tool that adds more annotations '
'(e.g. SMILES, InChI, CAS number) to MSP files (Python version).',
url='https://github.com/RECETOX/MSMetaEnhancer',
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2 changes: 2 additions & 0 deletions tests/test_IDSM.py
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Expand Up @@ -4,12 +4,14 @@
from MSMetaEnhancer.libs.converters.web import IDSM
from frozendict import frozendict

from MSMetaEnhancer.libs.utils.Errors import UnknownResponse
from tests.utils import wrap_with_session


INCHI = 'InChI=1S/C11H8FNO3/c1-13-6-9(10(14)16-11(13)15)7-2-4-8(12)5-3-7/h2-6H,1H3'


@pytest.mark.xfail(raises=UnknownResponse)
@pytest.mark.dependency()
def test_service_available():
asyncio.run(wrap_with_session(IDSM, 'inchi_to_inchikey', [INCHI]))
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