richlewis42 / scikit-chem

Completed

Push — master ( 4cde57...24f8d3 )

by Rich

created 2016-07-10 23:46 UTC

Changes

	44 issues (2 major, 19 minor, 23 informational) were introduced. 21 issues were fixed.
	16 added classes/operations
		B	DistanceCalculator.transform() added
		A	ForceField added
		A	SpaceDistanceCalculator added
		A	DistanceCalculator added
		A	UFF added
		A	MMFF added
		A	ForceField.__init__() added
		A	ForceField.optimize() added
		A	DistanceCalculator.__call__() added
		A	SpaceDistanceCalculator._transform_mol() added
view all

9.16

▲ + 0.02

Head	Rich Lewis 2016-07-11 00:44 GMT+0100 add 3d structure distance calculator
Base	Rich Lewis 2016-07-01 13:42 UTC removed manifest.in and moved to package data