From 2d712e12bd0bb870fdfdfe18a6bc09fb9fbcc474 Mon Sep 17 00:00:00 2001 From: Valerio Mariani <valerio.mariani@unibas.ch> Date: Tue, 19 Jun 2012 17:30:26 +0200 Subject: [PATCH] Sorry forgot the wrapper! --- modules/mol/alg/pymod/wrap_mol_alg.cc | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/modules/mol/alg/pymod/wrap_mol_alg.cc b/modules/mol/alg/pymod/wrap_mol_alg.cc index deb570db8..8949279db 100644 --- a/modules/mol/alg/pymod/wrap_mol_alg.cc +++ b/modules/mol/alg/pymod/wrap_mol_alg.cc @@ -36,7 +36,7 @@ void export_entity_to_density(); namespace { -std::pair<long int,long int> (*lddt_a)(const mol::EntityView&, const mol::alg::GlobalRDMap& , std::vector<Real>, const String&)=&mol::alg::LocalDistDiffTest; +std::pair<long int,long int> (*lddt_a)(const mol::EntityView&, const mol::alg::GlobalRDMap& , std::vector<Real>, int, const String&)=&mol::alg::LocalDistDiffTest; Real (*lddt_c)(const mol::EntityView&, const mol::EntityView& , Real, Real, const String&)=&mol::alg::LocalDistDiffTest; Real (*lddt_b)(const seq::AlignmentHandle&,Real, Real, int, int)=&mol::alg::LocalDistDiffTest; mol::EntityView (*fc_a)(const mol::EntityView&, const mol::alg::ClashingDistances&,bool)=&mol::alg::FilterClashes; @@ -70,7 +70,7 @@ ost::mol::alg::ClashingDistances fill_clashing_distances_wrapper (const list& st return ost::mol::alg::FillClashingDistances(stereo_chemical_props_file_vector); } -ost::mol::alg::GlobalRDMap create_distance_list_from_multiple_references(const list& ref_list, const list& cutoff_list, Real max_dist) +ost::mol::alg::GlobalRDMap create_distance_list_from_multiple_references(const list& ref_list, const list& cutoff_list, int sequence_separation, Real max_dist) { int ref_list_length = boost::python::extract<int>(ref_list.attr("__len__")()); std::vector<ost::mol::EntityView> ref_list_vector(ref_list_length); @@ -85,7 +85,7 @@ ost::mol::alg::GlobalRDMap create_distance_list_from_multiple_references(const l for (int i=0; i<cutoff_list_length; i++) { cutoff_list_vector[i] = boost::python::extract<Real>(cutoff_list[i]); } - return ost::mol::alg::CreateDistanceListFromMultipleReferences(ref_list_vector, cutoff_list_vector, max_dist); + return ost::mol::alg::CreateDistanceListFromMultipleReferences(ref_list_vector, cutoff_list_vector, sequence_separation, max_dist); } } @@ -100,7 +100,7 @@ BOOST_PYTHON_MODULE(_ost_mol_alg) export_entity_to_density(); #endif - def("LocalDistDiffTest", lddt_a, (arg("local_lddt_property_string")="")); + def("LocalDistDiffTest", lddt_a, (arg("sequence_separation")=0,arg("local_lddt_property_string")="")); def("LocalDistDiffTest", lddt_c, (arg("local_lddt_property_string")="")); def("LocalDistDiffTest", lddt_b, (arg("ref_index")=0, arg("mdl_index")=1)); def("FilterClashes", fc_a, (arg("ent"), arg("clashing_distances"), arg("always_remove_bb")=false)); -- GitLab