diff --git a/modules/mol/alg/src/construct_cbeta.cc b/modules/mol/alg/src/construct_cbeta.cc index c7466ef1e46db1d8cff38e98f187021bf560234f..f4c04f1d580b96f6fe9b98404555603d6a3524a5 100644 --- a/modules/mol/alg/src/construct_cbeta.cc +++ b/modules/mol/alg/src/construct_cbeta.cc @@ -12,14 +12,16 @@ namespace detail { class CBetaInserter:public EntityVisitor { public: - CBetaInserter(mol::EntityHandle ent); + CBetaInserter(mol::EntityHandle ent, bool include_gly); virtual bool VisitResidue(const mol::ResidueHandle& res); private: XCSEditor edi_; + bool include_gly_; }; -CBetaInserter::CBetaInserter(mol::EntityHandle ent) { +CBetaInserter::CBetaInserter(mol::EntityHandle ent, bool include_gly) { edi_=ent.EditXCS(BUFFERED_EDIT); + include_gly_=include_gly; } bool CBetaInserter::VisitResidue(const mol::ResidueHandle& res) @@ -53,8 +55,7 @@ bool CBetaInserter::VisitResidue(const mol::ResidueHandle& res) // ensure that C-betas are added to the view as well void ConstructCBetas(mol::EntityHandle& entity_handle, bool include_gly) { - include_gly_=include_gly; - detail::CBetaInserter cbi(entity_handle); + detail::CBetaInserter cbi(entity_handle, include_gly); entity_handle.Apply(cbi); } diff --git a/modules/mol/alg/src/construct_cbeta.hh b/modules/mol/alg/src/construct_cbeta.hh index ad59bf8d5ffd50da772819fa5b6e7818120de8f5..994dfd7a0e17ad685ad29cdb3bf9d05383ce6f09 100644 --- a/modules/mol/alg/src/construct_cbeta.hh +++ b/modules/mol/alg/src/construct_cbeta.hh @@ -26,16 +26,16 @@ namespace ost { namespace mol { namespace alg { geom::Vec3 DLLEXPORT_OST_MOL_ALG CBetaPosition(const ResidueHandle& residue, - Real bond_length=1.5); + Real bond_length=1.5); geom::Vec3 DLLEXPORT_OST_MOL_ALG CBetaPosition(const geom::Vec3& n_pos, - const geom::Vec3& ca_pos, - const geom::Vec3& c_pos, - Real bond_length=1.5); + const geom::Vec3& ca_pos, + const geom::Vec3& c_pos, + Real bond_length=1.5); -void DLLEXPORT_OST_MOL_ALG ConstructCBetas(EntityHandle& entity_handle, bool include_gly=false); +void DLLEXPORT_OST_MOL_ALG ConstructCBetas(EntityHandle& entity_handle, + bool include_gly=false); -bool include_gly_; }}} // ns