rxn.chemutils.tokenization

Functions

copy_as_detokenized(src, dest)	Copy a source file to a destination, while making sure that it is not tokenized.
detokenize_file(input_file, output_file)	param input_file
detokenize_smiles(tokenized_smiles)	Detokenize a tokenized SMILES string (that contains spaces between the characters).
ensure_tokenized_file(file[, postfix, ...])	Ensure that a file is tokenized: do nothing if the file is already tokenized, create a tokenized copy otherwise.
file_is_tokenized(filepath)	Whether a file contains tokenized SMILES or not.
string_is_tokenized(smiles_line)	Whether a string is a tokenized SMILES or not.
to_tokens(smiles)	Tokenize a SMILES molecule or reaction into a list of tokens.
tokenize_file(input_file, output_file[, ...])	Tokenize a file containing SMILES strings.
tokenize_smiles(smiles[, fallback_value])	Tokenize a SMILES molecule or reaction, and join the tokens with spaces.

Exceptions

TokenizationError(title, detail)

Exception raised in RDKit.