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src/b/i/biskit-2.4/Biskit/Dock/ComplexEvolvingList.py   biskit(Download)
    def test_ComplexEvolvingList(self):
        """Dock.ComplexEvolvingList test"""
 
        import Biskit.tools as t
        from Biskit.Dock import ComplexEvolving
 
        ## first evolution step
        c = ComplexEvolving( cl[0].rec(), cl[0].lig(), cl[0],
                             info={'comment':'test1'})
 
        ## second evolution step
        c = ComplexEvolving( c.rec(), c.lig(), c,

src/b/i/biskit-2.4/Biskit/Dock/ComplexEvolving.py   biskit(Download)
    def test_ComplexEvolving(self):
        """Dock.ComplexEvolving test"""
        import time
 
        from Biskit.Dock import ComplexEvolving
 
        c = t.load( t.testRoot() + '/com/ref.complex' )
 
        self.ce= ComplexEvolving( c.rec_model, c.lig(), c,
 
        lig = self.ce.lig().transform( MU.randomRotation(), [0,0,0] )
        self.ce2 = ComplexEvolving( self.ce.rec_model, lig, self.ce,
                                    info={'comment':'test2'})
 
    import time
 
    from Biskit.Dock import ComplexEvolving
 
    c = t.load( t.testRoot() + '/com/ref.complex' )
 
    ce= ComplexEvolving( c.rec_model, c.lig(), c,