diff --git a/loop/src/CMakeLists.txt b/loop/src/CMakeLists.txt index 6c874f584b1f8b29cba7803c056a816c5a0ce365..39da6810da8562bc25b2c39f57ae153bdcc86908 100644 --- a/loop/src/CMakeLists.txt +++ b/loop/src/CMakeLists.txt @@ -17,7 +17,6 @@ set(LOOP_HEADERS idx_handler.hh loop_object_loader.hh mm_system_creator.hh - paged_array.hh psipred_prediction.hh stem_geom.hh structure_db.hh diff --git a/loop/src/frag_db.cc b/loop/src/frag_db.cc index 4e0bfdd76a46e1099d77689a5170f79062a93454..8467f5cc2b83a30df17b012ca25edc1c9cbf10d8 100644 --- a/loop/src/frag_db.cc +++ b/loop/src/frag_db.cc @@ -258,7 +258,7 @@ void FragDB::AddFragments(uint fragment_length, //extract all stem information of this chain to create the //stem geoms later on - const PagedArray<PeptideCoords, 65536>& db_coords = structure_db->GetCoords(); + const ost::PagedArray<PeptideCoords, 65536>& db_coords = structure_db->GetCoords(); stem_coords.clear(); for(uint j = 0; j < size; ++j){ const PeptideCoords& coords = db_coords[offset + j]; diff --git a/loop/src/frag_db.hh b/loop/src/frag_db.hh index 8deb7b197455b51be093913a5714b429fb541845..75195312aa4409f136909d23ef19aa9f9845515c 100644 --- a/loop/src/frag_db.hh +++ b/loop/src/frag_db.hh @@ -28,7 +28,6 @@ #include <ost/mol/entity_view.hh> #include <ost/mol/mol.hh> -#include <promod3/loop/paged_array.hh> #include <promod3/loop/data_bag.hh> #include <promod3/loop/ushort_vec.hh> #include <promod3/loop/structure_db.hh> diff --git a/loop/src/fragger.cc b/loop/src/fragger.cc index 7f5ed5d1220efa2f87810d7606220e3efcd2e6f0..fa1054ed248dd7efca2caf9164bd0dc77792d040 100644 --- a/loop/src/fragger.cc +++ b/loop/src/fragger.cc @@ -500,14 +500,14 @@ void Fragger::FillProfiles(StructureDBPtr db, break; } case SequenceProfile:{ - const PagedArray<AAFreq, 65536>& frequencies = + const ost::PagedArray<AAFreq, 65536>& frequencies = db->GetAAFrequencies(); this->GenerateProfileProfile(db, profiles[i], chain_idx, frequencies, profiles_[i]); break; } case StructureProfile:{ - const PagedArray<AAFreq, 65536>& frequencies = + const ost::PagedArray<AAFreq, 65536>& frequencies = db->GetAAStructFrequencies(); this->GenerateProfileProfile(db, profiles[i], chain_idx, frequencies, profiles_[i]); @@ -553,7 +553,7 @@ void Fragger::GenerateSeqSimProfile(StructureDBPtr db, const ost::seq::alg::SubstWeightMatrix& subst) const{ const std::vector<CoordInfo>& coord_toc = db->GetCoordToc(); - const PagedArray<char, 65536>& full_db_seq = db->GetSeq(); + const ost::PagedArray<char, 65536>& full_db_seq = db->GetSeq(); profile.clear(); @@ -591,7 +591,7 @@ void Fragger::GenerateSeqIDProfile(StructureDBPtr db, uint index) const{ const std::vector<CoordInfo>& coord_toc = db->GetCoordToc(); - const PagedArray<char, 65536>& full_db_seq = db->GetSeq(); + const ost::PagedArray<char, 65536>& full_db_seq = db->GetSeq(); profile.clear(); @@ -622,7 +622,7 @@ void Fragger::GenerateSSAgreementProfile(StructureDBPtr db, const std::vector<int>& confidence) const { const std::vector<CoordInfo>& coord_toc = db->GetCoordToc(); - const PagedArray<char, 65536>& full_db_dssp = db->GetDSSP(); + const ost::PagedArray<char, 65536>& full_db_dssp = db->GetDSSP(); profile.clear(); @@ -658,7 +658,7 @@ void Fragger::GenerateTorsionProbabilityProfile(StructureDBPtr db, const std::vector<int>& t_sampler_indices) const { const std::vector<CoordInfo>& coord_toc = db->GetCoordToc(); - const PagedArray<DihedralInfo, 65536>& full_db_dihedrals = db->GetDihedrals(); + const ost::PagedArray<DihedralInfo, 65536>& full_db_dihedrals = db->GetDihedrals(); profile.clear(); @@ -693,7 +693,7 @@ void Fragger::GenerateTorsionProbabilityProfile(StructureDBPtr db, void Fragger::GenerateProfileProfile(StructureDBPtr db, std::vector<Real>& profile, uint index, - const PagedArray<AAFreq,65536>& frequencies, + const ost::PagedArray<AAFreq,65536>& frequencies, short** prof) const { const std::vector<CoordInfo>& coord_toc = db->GetCoordToc(); diff --git a/loop/src/fragger.hh b/loop/src/fragger.hh index dfe545f4c434898749e4a344a5607d2b34d2d444..205f10dc692ef953ccfefa09813c49663dde3692 100644 --- a/loop/src/fragger.hh +++ b/loop/src/fragger.hh @@ -134,7 +134,7 @@ private: void GenerateProfileProfile(StructureDBPtr db, std::vector<Real>& profile, uint index, - const PagedArray<AAFreq, 65536>& frequencies, + const ost::PagedArray<AAFreq, 65536>& frequencies, short** prof) const; diff --git a/loop/src/structure_db.hh b/loop/src/structure_db.hh index 89395b364f9039b6205529e9712a1a8e8d8b820c..075d0a3f35b1317f73e7d6730fb4b32f1c628f3a 100644 --- a/loop/src/structure_db.hh +++ b/loop/src/structure_db.hh @@ -24,6 +24,7 @@ #include <list> #include <ost/base.hh> +#include <ost/paged_array.hh> #include <ost/fixed_string.hh> #include <ost/mol/entity_view.hh> #include <ost/mol/mol.hh> @@ -34,7 +35,6 @@ #include <ost/seq/profile_handle.hh> #include <ost/mol/surface_handle.hh> -#include <promod3/loop/paged_array.hh> #include <promod3/loop/backbone.hh> #include <promod3/core/message.hh> #include <promod3/core/superpose.hh> @@ -249,15 +249,15 @@ public: const std::vector<CoordInfo>& GetCoordToc() const { return coord_toc_; } - const PagedArray<char, 65536>& GetSeq() const { + const ost::PagedArray<char, 65536>& GetSeq() const { return seq_; } - const PagedArray<PeptideCoords, 65536>& GetCoords() const { + const ost::PagedArray<PeptideCoords, 65536>& GetCoords() const { return coords_; } - const PagedArray<DihedralInfo, 65536>& GetDihedrals() const { + const ost::PagedArray<DihedralInfo, 65536>& GetDihedrals() const { if(!this->HasData(Dihedrals)) { throw promod3::Error("StructureDB does not contain dihedrals!"); @@ -266,7 +266,7 @@ public: return dihedrals_; } - const PagedArray<unsigned short, 65536>& GetSolvAcc() const { + const ost::PagedArray<unsigned short, 65536>& GetSolvAcc() const { if(!this->HasData(SolventAccessibilities)) { throw promod3::Error("StructureDB does not contain " @@ -276,7 +276,7 @@ public: return solv_acc_; } - const PagedArray<unsigned short, 65536>& GetResDepth() const { + const ost::PagedArray<unsigned short, 65536>& GetResDepth() const { if(!this->HasData(ResidueDepths)) { throw promod3::Error("StructureDB does not contain residue depths!"); @@ -285,7 +285,7 @@ public: return res_depths_; } - const PagedArray<char, 65536>& GetDSSP() const { + const ost::PagedArray<char, 65536>& GetDSSP() const { if(!this->HasData(DSSP)) { throw promod3::Error("StructureDB does not contain dssp assignments!"); @@ -294,7 +294,7 @@ public: return dssp_; } - const PagedArray<AAFreq, 65536>& GetAAFrequencies() const { + const ost::PagedArray<AAFreq, 65536>& GetAAFrequencies() const { if(!this->HasData(AAFrequencies)) { throw promod3::Error("StructureDB does not contain amino acid " @@ -304,7 +304,7 @@ public: return aa_frequencies_; } - const PagedArray<AAFreq, 65536>& GetAAStructFrequencies() const { + const ost::PagedArray<AAFreq, 65536>& GetAAStructFrequencies() const { if(!this->HasData(AAFrequenciesStruct)) { throw promod3::Error("StructureDB does not contain amino acid " @@ -336,30 +336,30 @@ private: std::vector<CoordInfo> coord_toc_; // one letter codes - PagedArray<char, 65536> seq_; + ost::PagedArray<char, 65536> seq_; // backbone coordinates - PagedArray<PeptideCoords, 65536> coords_; + ost::PagedArray<PeptideCoords, 65536> coords_; // phi and psi dihedrals - PagedArray<DihedralInfo, 65536> dihedrals_; + ost::PagedArray<DihedralInfo, 65536> dihedrals_; // solvent accessibility in A^2 as calculated by Lee & Richards implementation // in ost - PagedArray<uint16_t, 65536> solv_acc_; + ost::PagedArray<uint16_t, 65536> solv_acc_; // distance towards closest surface residue in A multiplied by 10 to allow // accuracy of 0.1 - PagedArray<uint16_t, 65536> res_depths_; + ost::PagedArray<uint16_t, 65536> res_depths_; // dssp state, which is a member of {H,B,E,G,I,T,S} - PagedArray<char, 65536> dssp_; + ost::PagedArray<char, 65536> dssp_; // Amino acid frequencies as given as input profile - PagedArray<AAFreq, 65536> aa_frequencies_; + ost::PagedArray<AAFreq, 65536> aa_frequencies_; // Amino acid frequencies as derived from structural information - PagedArray<AAFreq, 65536> aa_frequencies_struct_; + ost::PagedArray<AAFreq, 65536> aa_frequencies_struct_; }; }}