Msmetaenhancer

Latest version: v0.4.0

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0.2.0

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

Added
* multidict package requirement
* tracking of attributes validation in log [68](https://github.com/RECETOX/MSMetaEnhancer/issues/68)
* CIR: Inchi -> SMILES conversion [66](https://github.com/RECETOX/MSMetaEnhancer/issues/66)
Changed
* passed `multidict` instead of `frozendict` to `aiohttp.ClientSession.post` (required by package)
* take only first result when there are multiple hits in CIR conversions [69](https://github.com/RECETOX/MSMetaEnhancer/issues/69)
* support `ISOMERIC_SMILES` and `CANONICAL_SMILES` in PubChem instead of generic `SMILES` [67](https://github.com/RECETOX/MSMetaEnhancer/issues/67)

0.1.2

Added
- `generate_options()` function in `Galaxy` submodule to create all possible conversions supported by the tool in a format suitable for the galaxy tool form [58](https://github.com/RECETOX/MSMetaEnhancer/pull/58)
- monitoring of services status during annotation process [56](https://github.com/RECETOX/MSMetaEnhancer/issues/56)
- validation of obtained metadata [59](https://github.com/RECETOX/MSMetaEnhancer/issues/59)
Changed
- structure and contents of documentation [51](https://github.com/RECETOX/MSMetaEnhancer/pull/51)
Removed
- tests checking contents and consistency of individual services [54](https://github.com/RECETOX/MSMetaEnhancer/pull/61)

0.1.1

Added
- `get_conversion_functions` on the level of `Converter`
Changed
- computation of all available jobs in `Application`
Removed
- `get_all_conversions` on the level of `Annotator`

0.1.0

Added
- Added conda environment files [35](https://github.com/RECETOX/MSMetaEnhancer/pull/35)
- Usage of IDSM SPARQL for PubChem service [25](https://github.com/RECETOX/MSMetaEnhancer/pull/25)
- Added logging and quantitative progress of annotation process [22](https://github.com/RECETOX/MSMetaEnhancer/pull/22)
- Generalised requests to obtain multiple values at once [20](https://github.com/RECETOX/MSMetaEnhancer/pull/20)
- Added asynchronous requests [15](https://github.com/RECETOX/MSMetaEnhancer/pull/15)

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