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Commit 2d712e12 authored by Valerio Mariani's avatar Valerio Mariani
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Sorry forgot the wrapper!

parent 29c331bc
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......@@ -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));
......
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