## \example restrainer/saxs_restraint.py ## This example shows how to use IMP::saxs::Restraint. ## ## \include saxs_representation.xml ## \include saxs_restraint.xml ## #-- File: saxs_restraint.py --# import IMP import IMP.restrainer # Create restrainer object restrainer = IMP.restrainer.Main() # Add representation and restraint to restrainer rep = restrainer.add_representation(IMP.restrainer.get_example_path('input/saxs_representation.xml')) rsr = restrainer.add_restraint(IMP.restrainer.get_example_path('input/saxs_restraint.xml')) ###=======================================================================### # At this point all data from XML files have been placed into the model. # Now it is possible to perform various operations on the IMP model. ###=======================================================================### # Get the IMP model object used by restrainer model = restrainer.get_model() # Get restraint by name r = rsr.get_restraint_by_name('saxs_restraint') # Get IMP::RestraintSet by name rs = rsr.get_restraint_set_by_name('saxs_restraint_set') # Get IMP::saxs::Restraint saxs_restraint = r.imp_restraint saxs_restraint.evaluate(False)