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