richlewis42 / scikit-chem

Completed

Push — master ( 4cde57...24f8d3 )

by Rich

created 2016-07-10 23:46 UTC

Python Classes Changes

	⇢	A	DistanceCalculator added
	⇢	A	UFF added
	⇢	A	MMFF added
	⇢	A	ForceField added
	⇢	A	SpaceDistanceCalculator added

Python Functions Changes

	⇢	B	DistanceCalculator.transform() added
	⇢	A	SpaceDistanceCalculator._transform_mol() added
	⇢	A	UFF.optimize() added
	⇢	A	MMFF.optimize() added
	⇢	A	SpaceDistanceCalculator.__init__() added
	⇢	A	DistanceCalculator._transform_series() added
	⇢	A	DistanceCalculator.__call__() added
	⇢	A	DistanceCalculator.__init__() added
	⇢	A	UFF.__init__() added
	⇢	A	ForceField.__init__() added
⋮			view more
B	↛		GraphDistanceCalculator.transform() removed
A	↛		GraphDistanceCalculator.__call__() removed
A	↛		GraphDistanceCalculator._transform_series() removed
A	↛		GraphDistanceCalculator.__init__() removed