Wrapper exposing old version of the LocalDistanceTest interface

modules/mol/alg/pymod/wrap_mol_alg.cc

@@ -36,7 +36,8 @@ void export_entity_to_density();
 
 namespace {
   
-Real (*ldt_a)(const mol::EntityView&, const mol::alg::GlobalDistanceList& glob_dist_list, Real, const String&)=&mol::alg::LocalDistTest;
+Real (*ldt_a)(const mol::EntityView&, const mol::alg::GlobalDistanceList& , Real, const String&)=&mol::alg::LocalDistTest;
+Real (*ldt_c)(const mol::EntityView&, const mol::EntityView& , Real, Real, const String&)=&mol::alg::LocalDistTest;
 Real (*ldt_b)(const seq::AlignmentHandle&,Real, Real, int, int)=&mol::alg::LocalDistTest;
 mol::EntityView (*fc_a)(const mol::EntityView&, const mol::alg::ClashingDistances&,bool)=&mol::alg::FilterClashes;
 mol::EntityView (*fc_b)(const mol::EntityHandle&, const mol::alg::ClashingDistances&, bool)=&mol::alg::FilterClashes;
@@ -83,6 +84,7 @@ BOOST_PYTHON_MODULE(_ost_mol_alg)
   #endif
   
   def("LocalDistTest", ldt_a, (arg("local_ldt_property_string")=""));
+  def("LocalDistTest", ldt_c, (arg("local_ldt_property_string")=""));
   def("LocalDistTest", ldt_b, (arg("ref_index")=0, arg("mdl_index")=1));
   def("FilterClashes", fc_a, (arg("ent"), arg("clashing_distances"), arg("always_remove_bb")=false));
   def("FilterClashes", fc_b, (arg("ent"), arg("clashing_distances"), arg("always_remove_bb")=false));

modules/mol/alg/src/local_dist_test.cc

@@ -425,6 +425,14 @@ Real LocalDistTest(const EntityView& mdl, const GlobalDistanceList& glob_dist_li
   return total_ov.first/(total_ov.second ? total_ov.second : 1);
 }
 
+Real LocalDistTest(const EntityView& mdl, const EntityView& target, Real cutoff, Real max_dist, const String& local_ldt_property_string)
+{
+   GlobalDistanceList glob_dist_list = CreateDistanceList(target,max_dist);
+   return LocalDistTest(mdl, glob_dist_list, cutoff, local_ldt_property_string);
+}
+
+
+
 Real LocalDistTest(const ost::seq::AlignmentHandle& aln,
                    Real cutoff, Real max_dist, int ref_index, int mdl_index)
 {

modules/mol/alg/src/local_dist_test.hh

@@ -77,6 +77,12 @@ Real DLLEXPORT_OST_MOL_ALG LocalDistTest(const EntityView& mdl,
                                          Real cutoff, 
                                          const String& local_ldt_property_string="");
 
+Real DLLEXPORT_OST_MOL_ALG LocalDistTest(const EntityView& mdl,
+                                         const EntityView& target,
+                                         Real cutoff, 
+                                         Real max_dist,
+                                         const String& local_ldt_property_string="");
+
 Real DLLEXPORT_OST_MOL_ALG LocalDistTest(const ost::seq::AlignmentHandle& aln,
                                          Real cutoff, Real max_dist,
                                          int ref_index=0, int mdl_index=1);