assign_charges Namespace Reference

Variables
tuple	ifs = oemolistream()
tuple	ofs = oemolostream()
	first = True
tuple	mol = OEGraphMol(m)

Variable Documentation

assign_charges.first = True

Referenced by utility::keys::KeyLookup< K >.add(), ExposedStrandMover.apply(), FitMover.apply(), utility::keys::ClassKeyMap< K, T, C >.assign(), utility::keys::SmallKeyMap< K, T >.assign(), utility::keys::ClassKeyMap< K, T, C >.ClassKeyMap(), utility::graph.depth_first_search_sort(), basic::YamlEmitter.do_indent(), basic::JsonEmitter.do_indent(), numeric::interpolation::spline::BicubicSpline.F(), utility.find_closest(), get_contact_devs(), numeric::interpolation::InterpolatedPotential< N >.get_indices(), go_main(), UBQ_GTPase_disulfide_Mover.init_on_new_input(), UBQ_GTPaseMover.init_on_new_input(), UBQ_E2Mover.init_on_new_input(), fmt.join(), numeric::statistics.mean(), utility::graph::ArrayPool< T >.new_array(), numeric.normalize(), utility::tag::XMLSchemaComplexTypeGeneratorImpl.only_one_subelement_and_that_subelement_is_a_ct_group(), numeric.principal_components_and_eigenvalues(), report_and_dump(), run_pep_prep(), basic::resource_manager.show_option_vector_map(), utility::keys::SmallKeyMap< K, T >.SmallKeyMap(), numeric::statistics.std_dev_with_provided_mean(), and numeric.sum().

tuple assign_charges.ifs = oemolistream()

Referenced by basic::resource_manager::ResourceManager.initialize_from_commandline(), and main().

tuple assign_charges.mol = OEGraphMol(m)

tuple assign_charges.ofs = oemolostream()