From b0d17b248cfcae8711220c6fe2d2f6a53daee743 Mon Sep 17 00:00:00 2001
From: Valerio Mariani <valerio.mariani@unibas.ch>
Date: Mon, 11 Jun 2012 16:04:41 +0200
Subject: [PATCH] Fix for missing symbol and wrapper
---
modules/mol/alg/pymod/wrap_mol_alg.cc | 12 +++++++++---
modules/mol/alg/src/local_dist_test.hh | 2 +-
2 files changed, 10 insertions(+), 4 deletions(-)
diff --git a/modules/mol/alg/pymod/wrap_mol_alg.cc b/modules/mol/alg/pymod/wrap_mol_alg.cc
index 81bdfe50c..9d3877de7 100644
--- a/modules/mol/alg/pymod/wrap_mol_alg.cc
+++ b/modules/mol/alg/pymod/wrap_mol_alg.cc
@@ -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,min_default_distance,min_distance_tolerance);
}
-ost::mol::alg::GlobalRDMap create_distance_list_from_multiple_references(const list& ref_list, Real cutoff, Real max_dist)
+ost::mol::alg::GlobalRDMap create_distance_list_from_multiple_references(const list& ref_list, const list& cutoff_list, 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);
@@ -78,8 +78,14 @@ ost::mol::alg::GlobalRDMap create_distance_list_from_multiple_references(const l
for (int i=0; i<ref_list_length; i++) {
ref_list_vector[i] = boost::python::extract<ost::mol::EntityView>(ref_list[i]);
}
-
- return ost::mol::alg::CreateDistanceListFromMultipleReferences(ref_list_vector, cutoff, max_dist);
+
+ int cutoff_list_length = boost::python::extract<int>(cutoff_list.attr("__len__")());
+ std::vector<Real> cutoff_list_vector(cutoff_list_length);
+
+ 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);
}
}
diff --git a/modules/mol/alg/src/local_dist_test.hh b/modules/mol/alg/src/local_dist_test.hh
index 8a26e1c7d..8a38f4bae 100644
--- a/modules/mol/alg/src/local_dist_test.hh
+++ b/modules/mol/alg/src/local_dist_test.hh
@@ -76,7 +76,7 @@ Real DLLEXPORT_OST_MOL_ALG OldStyleLDTHA(EntityView& v, const GlobalRDMap& globa
GlobalRDMap CreateDistanceList(const EntityView& ref,Real max_dist);
-GlobalRDMap CreateDistanceListFromMultipleReferences(const std::vector<EntityView>& ref_list,Real cutoff, Real max_dist);
+GlobalRDMap CreateDistanceListFromMultipleReferences(const std::vector<EntityView>& ref_list,std::vector<Real>& cutoff_list, Real max_dist);
void PrintGlobalRDMap(const GlobalRDMap& glob_dist_list);
void PrintResidueRDMap(const ResidueRDMap& res_dist_list);
bool IsStandardResidue(String rn);
--
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