def get_ts_properties(self, molecular_graphs: list,
group_size: int) -> None:
"""
Gets molecular properties for group of molecular graphs, only for the
training set.
Args:
----
molecular_graphs (list) : Contains `PreprocessingGraph`s.
group_size (int) : Size of "group" (i.e. slice of graphs).
"""
if self.is_training_set:
analyzer = Analyzer()
ts_properties = analyzer.evaluate_training_set(
preprocessing_graphs=molecular_graphs)
# merge properties of current group with the previous group analyzed
if self.ts_properties: # `self.ts_properties` is a dictionary
self.ts_properties = analyzer.combine_ts_properties(
prev_properties=self.ts_properties,
next_properties=ts_properties,
weight_next=group_size)
else: # `self.ts_properties` is None (has not been calculated yet)
self.ts_properties = ts_properties
else:
self.ts_properties = None
