diff --git a/src/depiction/tools/process_spectra/__init__.py b/src/depiction/tools/process_spectra/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/src/depiction/tools/process_spectra/config.py b/src/depiction/tools/process_spectra/config.py new file mode 100644 index 0000000..d01199c --- /dev/null +++ b/src/depiction/tools/process_spectra/config.py @@ -0,0 +1,25 @@ +from pydantic import BaseModel + +from depiction.tools.correct_baseline.config import BaselineCorrectionConfig +from depiction.tools.filter_peaks.config import FilterPeaksConfig +from depiction.tools.pick_peaks.config import PickPeaksConfig + + +class ProcessSpectraStepPickPeaks(BaseModel): + pick: PickPeaksConfig + + +class ProcessSpectraStepRemoveBaseline(BaseModel): + baseline: BaselineCorrectionConfig + + +class ProcessSpectraStepFilterPeaks(BaseModel): + filter: FilterPeaksConfig + + +ProcessSpectraStep = ProcessSpectraStepFilterPeaks + + +class ProcessSpectraConfig(BaseModel): + steps: list[ProcessSpectraStep] + n_jobs: int = 10 diff --git a/src/depiction/tools/process_spectra/process.py b/src/depiction/tools/process_spectra/process.py new file mode 100644 index 0000000..313b3e9 --- /dev/null +++ b/src/depiction/tools/process_spectra/process.py @@ -0,0 +1,6 @@ +from depiction.persistence.types import GenericReadFile, GenericWriteFile +from depiction.tools.process_spectra.config import ProcessSpectraConfig + + +def process_spectra(read_file: GenericReadFile, write_file: GenericWriteFile, config: ProcessSpectraConfig) -> None: + pass