diff --git a/modules/gfx/src/vertex_array.cc b/modules/gfx/src/vertex_array.cc index 520e0d0e9c95f640c3578b99af95090e7f4aabec..847e38d14a0bcc1163ffcb383f9d7ce179a65353 100644 --- a/modules/gfx/src/vertex_array.cc +++ b/modules/gfx/src/vertex_array.cc @@ -1362,7 +1362,7 @@ void IndexedVertexArray::draw_aalines() {e3[0],e3[1],e3[2]}, {ve0.c[0],ve0.c[1],ve0.c[2],ve0.c[3]}, {ve1.c[0],ve1.c[1],ve1.c[2],ve1.c[3]}, - -0.5*(q0[2]+q1[2])}; + -0.5f*(q0[2]+q1[2])}; line_list.push_back(le); } diff --git a/modules/io/pymod/wrap_io.cc b/modules/io/pymod/wrap_io.cc index 4b64e61891f710fc4f4aecf4fa9d4eb44add1942..a5abde8cc5966a3ddd7bc21b41416117f663641f 100644 --- a/modules/io/pymod/wrap_io.cc +++ b/modules/io/pymod/wrap_io.cc @@ -71,8 +71,6 @@ BOOST_PYTHON_FUNCTION_OVERLOADS(save_entity_view_ov, ost::mol::alg::StereoChemicalProps (*read_props_a)(String filename, bool check) = &ReadStereoChemicalPropsFile; ost::mol::alg::StereoChemicalProps (*read_props_b)(bool check) = &ReadStereoChemicalPropsFile; - -Real (*lddt_c)(const mol::EntityView&, const mol::EntityView& , Real, Real, const String&)=&mol::alg::LocalDistDiffTest; } void export_pdb_io(); diff --git a/modules/mol/alg/src/lddt.cc b/modules/mol/alg/src/lddt.cc index dfb239ed700f303b9833d4ebdccac46dd0fa226d..4a9c095f53eff72b5d5ed9dedebd8c7e28761fb4 100644 --- a/modules/mol/alg/src/lddt.cc +++ b/modules/mol/alg/src/lddt.cc @@ -374,7 +374,7 @@ int main (int argc, char **argv) } // computes the lddt score - Real lddt = LocalDistDiffTest(model_view, ref_list, glob_dist_list, settings); + LocalDistDiffTest(model_view, ref_list, glob_dist_list, settings); // prints the residue-by-residue statistics std::vector<lDDTLocalScore> local_scores; diff --git a/modules/mol/alg/src/local_dist_diff_test.cc b/modules/mol/alg/src/local_dist_diff_test.cc index 20e6081702b9886344caab260958ef7a4a9a5b9e..de6ea31e6febb60862594f372891710e604539cd 100644 --- a/modules/mol/alg/src/local_dist_diff_test.cc +++ b/modules/mol/alg/src/local_dist_diff_test.cc @@ -398,10 +398,10 @@ StereoChemicalProps::StereoChemicalProps( ost::mol::alg::StereoChemicalParams& init_bond_table, ost::mol::alg::StereoChemicalParams& init_angle_table, ost::mol::alg::ClashingDistances& init_nonbonded_table): + is_valid(true), bond_table(init_bond_table), angle_table(init_angle_table), - nonbonded_table(init_nonbonded_table), - is_valid(true) {} + nonbonded_table(init_nonbonded_table) {} lDDTSettings::lDDTSettings(): radius(15.0), sequence_separation(0), @@ -495,8 +495,8 @@ lDDTScorer::lDDTScorer(std::vector<EntityView>& init_references, ost::mol::EntityView& init_model, lDDTSettings& init_settings): settings(init_settings), - references_view(init_references), - model_view(init_model) + model_view(init_model), + references_view(init_references) { _score_calculated = false; _score_valid = false;