| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/recetox/matchms/matchms/0.17.0+galaxy0 (this tool) |
| toolshed.g2.bx.psu.edu/repos/recetox/matchms/matchms/0.15.0+galaxy2 |
| toolshed.g2.bx.psu.edu/repos/recetox/matchms/matchms/0.15.0+galaxy1 |
| toolshed.g2.bx.psu.edu/repos/recetox/matchms/matchms/0.15.0+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/recetox/matchms/matchms/0.14.0+galaxy1 |
| matchms |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| pandas | 1.1.4 | package |
| numba | 0.55.1 | package |
| matchms | 0.17.0 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
queries: similarity/fill2.msp symmetric|references: similarity/fill.mgf similarity_metric: CosineGreedy |
name: value |
similarity/fill2.msp similarity/fill.mgf value |
| Test-2 |
queries: similarity/fill2.msp symmetric|references: similarity/RECETOX_Exposome_pesticides_HR_MS_20220323.msp similarity_metric: CosineGreedy |
name: value |
similarity/fill2.msp similarity/RECETOX_Exposome_pesticides_HR_MS_20220323.msp value |
| Test-3 |
queries: similarity/fill2.msp symmetric|references: similarity/fill.mgf similarity_metric: CosineHungarian ri_filtering|tolerance: 60.0 ri_filtering|is_true: True |
name: value |
similarity/fill2.msp similarity/fill.mgf value |
| Test-4 |
queries: similarity/recetox_gc-ei_ms_20201028.msp symmetric|is_symmetric: True similarity_metric: NeutralLossesCosine |
name: value |
similarity/recetox_gc-ei_ms_20201028.msp value |
| Test-5 |
queries: similarity/recetox_gc-ei_ms_20201028.msp symmetric|is_symmetric: True similarity_metric: ModifiedCosine ri_filtering|tolerance: 60.0 ri_filtering|is_true: True |
name: value |
similarity/recetox_gc-ei_ms_20201028.msp value |