schrodinger.application.vss.csvsmiles module¶
-
class
schrodinger.application.vss.csvsmiles.CsvSmilesFile(*, filename, smiles_col, cid_col, truth_col=None)¶ Bases:
object-
SCHEMA= <voluptuous.Schema object>¶
-
__init__(*, filename, smiles_col, cid_col, truth_col=None)¶ Initialize self. See help(type(self)) for accurate signature.
-
to_dict()¶
-
validate()¶ - Returns
Validation success and error message.
- Return type
(bool, str)
-
get_dict_reader(stack)¶ - Parameters
stack (
contextlib.ExitStack) – Exit stack.
-
get_dict_writer(stack, fieldnames=None)¶ - Parameters
stack (
contextlib.ExitStack) – Exit stack.fieldnames (list(str) or NoneType) – CSV column names.
-
property
input_files¶
-