Source code for schrodinger.protein.gpcr.tasks

from typing import List

from schrodinger.models import parameters
from schrodinger.protein import sequence
from schrodinger.protein.tasks import blast
from schrodinger.tasks import tasks


class GPCRTask(tasks.ComboSubprocessTask):
    """
    Task to run 'protein.tasks.blast.BlastTask' task against a custom database.
    """
    output: List[dict]

    class Input(parameters.CompoundParam):
        query_sequence: sequence.ProteinSequence = None
        custom_database_path: str

    def mainFunction(self):
        blast_task = blast.BlastTask()
        inp = blast_task.input
        inp.query_sequence = self.input.query_sequence
        inp.settings.location = blast.LOCAL
        inp.settings.custom_database_path = self.input.custom_database_path
        inp.settings.database_name = blast.BlastDatabase.CUSTOM
        blast_task.start()
        blast_task.wait()
        self.output = blast_task.output