import json import os from pathlib import Path from typing import Optional from vcutils.biosim_pipeline.datamodels import ( BiosimulationsProject, SourceOmex, SimulationRun, SimulatorComparison ) def _get_project_name(omex_file: Path) -> str: return str(omex_file.name).split(".")[0] class DataManager(object): omex_src_dir: Path out_dir: Path projects_ndjson_file: Path runs_ndjson_file: Path def __init__(self, omex_src_dir: Optional[Path] = None, out_dir: Optional[Path] = None): self.omex_src_dir = Path(os.environ.get("OMEX_SOURCE_DIR", "OMEX_SOURCE_DIR-not-specified")) if omex_src_dir is not None: self.omex_src_dir = omex_src_dir if not os.path.exists(self.omex_src_dir): raise ValueError(f"Base source directory {self.omex_src_dir} does not exist") self.out_dir = Path(os.environ.get("OMEX_OUTPUT_DIR", "OMEX_OUTPUT_DIR-not-specified")) if out_dir is not None: self.out_dir = out_dir if not os.path.exists(self.out_dir): os.makedirs(self.out_dir) self.projects_ndjson_file = self.out_dir / 'biosimulations_projects.ndjson' self.runs_ndjson_file = self.out_dir / 'biosimulations_runs.ndjson' self.compare_ndjson_file = self.out_dir / 'biosimulations_comparisons.ndjson' def read_run_requests(self) -> list[SimulationRun]: projects: list[SimulationRun] if os.path.exists(self.runs_ndjson_file): with open(self.runs_ndjson_file) as f: projects = [SimulationRun(**json.loads(line)) for line in f.readlines()] else: projects = [] return projects def read_projects(self) -> list[BiosimulationsProject]: projects: list[BiosimulationsProject] if os.path.exists(self.projects_ndjson_file): with open(self.projects_ndjson_file) as f: projects = [BiosimulationsProject(**json.loads(line)) for line in f.readlines()] else: projects = [] return projects def write_project(self, project: BiosimulationsProject) -> None: with open(self.projects_ndjson_file, 'a') as f: f.write(json.dumps(project.dict()) + "\n") def get_spec_omex_list(self) -> list[Path]: omex_files: list[Path] = [] for omex_file in os.listdir(self.omex_src_dir): if not str(omex_file).endswith(".omex"): continue omex_files.append(self.omex_src_dir / str(omex_file)) return omex_files def get_source_omex_archives(self) -> list[SourceOmex]: source_omex_archives: list[SourceOmex] = [] for omex_file_name in os.listdir(self.omex_src_dir): if not str(omex_file_name).endswith(".omex"): continue omex_file = self.omex_src_dir / str(omex_file_name) project_id = _get_project_name(omex_file) source_omex_archives.append(SourceOmex(omex_file=omex_file, project_id=project_id)) return source_omex_archives def write_run(self, simulation_run: SimulationRun) -> None: with open(self.runs_ndjson_file, 'a') as f: f.write(json.dumps(simulation_run.dict()) + "\n") def write_runs(self, runs: list[SimulationRun]): with open(self.runs_ndjson_file, 'wt') as f: for run in runs: f.write(json.dumps(run.dict()) + "\n") def write_comparison(self, simulation_comparison: SimulatorComparison) -> None: with open(self.compare_ndjson_file, 'a') as f: f.write(json.dumps(simulation_comparison.dict()) + "\n") def read_comparisons(self) -> list[SimulatorComparison]: comparisons: list[SimulatorComparison] if os.path.exists(self.compare_ndjson_file): with open(self.compare_ndjson_file) as f: comparisons = [SimulatorComparison(**json.loads(line)) for line in f.readlines()] else: comparisons = [] return comparisons def get_run_output_dir(self, simulation_run: SimulationRun) -> Path: run_out_dir = self.out_dir / simulation_run.project_id / simulation_run.simulator.value / simulation_run.simulator_version if not os.path.exists(run_out_dir): os.makedirs(run_out_dir) return run_out_dir