Class FilterReporter

A class to handle reporting of results from the remove_dupes function.

Instance Methods

[hide private]

__init__(self, logger)
Parameters

logResult(self, index, orig_index, title, smiles, dupe_index)
Log messages for a given result.

summarize(self, total, unique, duplicates, error_count)
Generate a summary of the filter results.

Method Details

[hide private]

init(self, logger)
(Constructor)



Parameters

logger (logging.Logger)
    The logger instance that will be used to output messages.

logResult(self, index, orig_index, title, smiles, dupe_index)


Log messages for a given result.

Parameters

index (int)
    Index of the current structure.

orig_index (int)
    Index of the unique structure of which the current one is a
    duplicate.

title (str)
    Title of the current structure.

smiles (str)
    SMILES string of the structure.

dupe_index (int)
    Index of the duplicate structure in the saved duplicates file.

summarize(self, total, unique, duplicates, error_count)


Generate a summary of the filter results.

Parameters

total (int)
    Total number of structures filtered.

unique (int)
    Number of unique structures found.

duplicates (int)
    Number of duplicates found.

error_count (int)
    Number of structures generating errors in SMILES conversion.

Class FilterReporter

__init__(self, logger) (Constructor)

logResult(self, index, orig_index, title, smiles, dupe_index)

summarize(self, total, unique, duplicates, error_count)

init(self, logger)
(Constructor)