From 72276baf3564b4aa85c8047d223398a79e7a5f51 Mon Sep 17 00:00:00 2001
From: Valerio Mariani <valerio.mariani@unibas.ch>
Date: Sat, 26 May 2012 12:29:10 +0200
Subject: [PATCH] Wrapper exposing old version of the LocalDistanceTest
interface
---
modules/mol/alg/pymod/wrap_mol_alg.cc | 4 +++-
modules/mol/alg/src/local_dist_test.cc | 8 ++++++++
modules/mol/alg/src/local_dist_test.hh | 6 ++++++
3 files changed, 17 insertions(+), 1 deletion(-)
diff --git a/modules/mol/alg/pymod/wrap_mol_alg.cc b/modules/mol/alg/pymod/wrap_mol_alg.cc
index c7c3e1c3b..2989eb5da 100644
--- a/modules/mol/alg/pymod/wrap_mol_alg.cc
+++ b/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));
diff --git a/modules/mol/alg/src/local_dist_test.cc b/modules/mol/alg/src/local_dist_test.cc
index 430dd31be..4c4bd2e25 100644
--- a/modules/mol/alg/src/local_dist_test.cc
+++ b/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)
{
diff --git a/modules/mol/alg/src/local_dist_test.hh b/modules/mol/alg/src/local_dist_test.hh
index 74e0f4f29..9c174f969 100644
--- a/modules/mol/alg/src/local_dist_test.hh
+++ b/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);
--
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