class jade.antibody.decoy_data.DecoyData.DecoyData(name, has_real_values=True, reverse_top=False)

Bases: object

add_data(strategy, con)

Baseclass method - needs to be overridden in subclass :param strategy: Strategy to which we are adding data. :param con: Sqlite3 Connection object

add_filters(filters, filter_name)

get_concatonated_map(by_score_tuple=False)

Returns a defaultDic: Default:

decoy: DecoyDataTriple

by_score_tuple (for sorting on score and having possible redundancy)

[score, decoy]: DecoyDataTriple

get_data_for_decoy(strategy, decoy)

Get the held data for the decoy :param strategy: Strategy Name :param decoy: Decoy name (with dir and suffix) :rtype: DecoyDataTriple

get_ordered_decoy_list(strategy, top_n=None)

Get an ordered array of decoy names by energy for a particular strategy :rtype: list of str

get_ordered_decoy_list_all(top_n=None)

Get an ordered array of decoy names by energy over all the strategies :rtype: list of str

get_outname()

get_pandas_dataframe(top_n=None, drop_dir_prfix=False)

Gets all data as a pandas dataframe. Uses the set name as the score. You can then order, or select specific ones using the data frame. :return: pandas.DataFrame

get_strategy_data(strategy, by_score_tuple=False)

For a particular strategy: Return a dictionary of decoy:DataTriple or if by_score_tuple:

[score, decoy] = DataTriple

get_top_all_data(top_n, by_score_tuple=False)

Over all the strategies: Return a dictionary of decoy:DataTriple or if by_score_tuple:

[score, decoy] = DataTriple

get_top_strategy_data(strategy, top_n, by_score_tuple=False)

For a particular strategy: Return a dictionary of decoy:DataTriple or if by_score_tuple:

[score, decoy] = DataTriple

For only the top scoring decoys

get_top_x_percent_cutoff_value(strategy, top_percent)

has_real_values()

set_interface(interface)

Set the Antibody-Antigen interface - used mainly for H_A vs LH_A

class jade.antibody.decoy_data.DecoyData.DecoyDataTriple(strategy, struct_id, decoy, score, out_name, raw_name)

Bases: object

Struct for holding data instead of a tupple