Source code for schrodinger.application.livedesign.constants

from enum import Enum

from schrodinger.tasks import tasks

# Master task preprocessor order values
ORDER_VALIDATE = 100
ORDER_BEFORE_COPY_RL_MAP = 900
ORDER_COPY_RL_MAP = 1000
ORDER_AFTER_COPY_RL_MAP = 1100
ORDER_POPULATE_TASK = 5000
ORDER_SHOW_SUMMARY = 5100
ORDER_CONNECT_SIGNALS = 5101
ORDER_POST_SUMMARY = 6000

# Subtask preprocessor order values
ORDER_PROP_DICT = tasks.AFTER_TASKDIR + 900
ORDER_GEN_FILE = tasks.AFTER_TASKDIR + 1000

# Subtask postprocessor order values
ORDER_COLLECT_RESULTS = 100
ORDER_ASSIGN_CORP_IDS = 200

# Keys necessary for LDClient.start_export_assay_and_pose_data()
# 'properties' dictionary argument
LD_PROP_NAME = 'name'
LD_PROP_MODEL = 'model'
LD_PROP_ENDPOINT = 'endpoint'
LD_PROP_UNITS = 'units'

# Strings related to export data
FAMNAME_LD_EXPORT = 'ldexport'
FAMNAME_SD = 'SD'
USERNAME_3D_DATA = '3D Data'
FAMNAME_3D_DATA = '3D Data'

# Structure property data names
PROPNAME_COMPOUND_ID = 's_ld_export_compound_id'
PROPNAME_CORP_ID = 's_m_Corporate_ID'
PROPNAME_IMPORT_ENTITY_ID = 's_ld_import_entity_id'
PROPNAME_SD_TITLE = 's_m_SD_TITLE'
PROPNAME_TITLE = 's_m_title'

# Template variable-associated constants
TEMP_VAR_READ_ONLY = 'READ_ONLY'


class CompoundSource(str, Enum):
    """
    Compound source options accepted by `LDClient` export methods in materials
    science mode.
    """

    pri = 'pri'  # virtual
    non_pri = 'non_pri'  # real

    def __str__(self):
        return self.value