diff --git a/modules/img/alg/src/dft.hh b/modules/img/alg/src/dft.hh index 32dcf022ea747211bf6a69b78e6b7cc2a239dc0c..9e8d8c6748fd0080dce445fff81db8a6abba8a62 100644 --- a/modules/img/alg/src/dft.hh +++ b/modules/img/alg/src/dft.hh @@ -30,7 +30,7 @@ namespace ost { namespace img { namespace alg { /// \brief Computes Fourier Trasnform honoring the origin of the image /// /// \sa \ref view_phase_diff.py "View Phase Diference Example" -/// \sa \ref fft_li.py "View Fourier Transform Example" +/// \sa \ref code_fragments/img/fft_li.py "View Fourier Transform Example" class DLLEXPORT_IMG_ALG DFT: public ConstModOPAlgorithm { public: DFT(); diff --git a/modules/io/doc/io.dox b/modules/io/doc/io.dox index e89777217a2d449f1c91edbf0e4c52946fc22609..3c864b38b7b8232f1d4314fa2a8529318b3efb9c 100644 --- a/modules/io/doc/io.dox +++ b/modules/io/doc/io.dox @@ -6,7 +6,7 @@ namespace ost { namespace io { The io module deals with input and output of \ref mol::EntityHandle "entities", \ref seq::AlignmentHandle "multiple sequence alignments" and -\ref iplt::ImageHandle "map data". Importers for common file formats such as PDB, +\ref ost::img::ImageHandle "map data". Importers for common file formats such as PDB, SDF, FASTA, CLUSTAL W, DX and the CHARMM files are available. diff --git a/modules/io/pymod/__init__.py b/modules/io/pymod/__init__.py index 85751e6970310949aafbea427ca97733f4934e8f..58b592b01fe12438b2f4d8e3b5ee603a612ac615 100644 --- a/modules/io/pymod/__init__.py +++ b/modules/io/pymod/__init__.py @@ -210,7 +210,7 @@ except ImportError: pass ## loads several images and puts them in an ImageList - # \sa \ref fft_li.py "View Fourier Transform Example" + # \sa \ref code_fragments/img/fft_li.py "View Fourier Transform Example" def LoadImageList (files): image_list=img.ImageList() for file in files: diff --git a/modules/io/src/mol/mmcif_info.hh b/modules/io/src/mol/mmcif_info.hh index 593fed6f2b70e25c777454bd3e8d95db8554ef56..832bfdc7684e2b1a6557a842739950af501767df 100644 --- a/modules/io/src/mol/mmcif_info.hh +++ b/modules/io/src/mol/mmcif_info.hh @@ -180,7 +180,9 @@ public: /// \brief Set the translational vector /// - /// \param + /// \param x + /// \param y + /// \param z void SetVector(Real x, Real y, Real z) { translation_.SetX(x); @@ -194,7 +196,15 @@ public: /// \brief Set the rotational matrix /// - /// \param + /// \param i00 + /// \param i01 + /// \param i02 + /// \param i10 + /// \param i11 + /// \param i12 + /// \param i20 + /// \param i21 + /// \param i22 void SetMatrix(Real i00, Real i01, Real i02, Real i10, Real i11, Real i12, Real i20, Real i21, Real i22) @@ -266,7 +276,7 @@ public: /// \brief Set method details /// - /// \param method details + /// \param method_details void SetMethodDetails(String method_details) { method_details_ = method_details; } @@ -435,7 +445,7 @@ public: /// \brief Set the start page for a publication /// - /// \param start + /// \param first void SetPageFirst(String first) { page_first_ = first; } /// \brief Get the start page of a publication @@ -445,7 +455,7 @@ public: /// \brief Set the end page for a publication /// - /// \param end + /// \param last void SetPageLast(String last) { page_last_ = last; } /// \brief Get the last page of a publication diff --git a/modules/io/src/mol/mmcif_reader.hh b/modules/io/src/mol/mmcif_reader.hh index 15cc727ad76d4a86b2952970bbfb3c4321fbb733..a8e35f52cf543ca6f744224d88723caef4d16b42 100644 --- a/modules/io/src/mol/mmcif_reader.hh +++ b/modules/io/src/mol/mmcif_reader.hh @@ -61,18 +61,22 @@ public: /// \brief create a MMCifReader /// /// \param stream input stream + /// \param ent_handle + /// \param profile + MMCifReader(std::istream& stream, mol::EntityHandle& ent_handle, const IOProfile& profile); /// \brief create a MMCifReader /// /// \param filename input file + /// \param ent_handle + /// \param profile MMCifReader(const String& filename, mol::EntityHandle& ent_handle, const IOProfile& profile); /// \brief Initialise the reader. /// - /// \param loc Location of the file void Init(); /// \brief Set up a fresh instance @@ -193,8 +197,9 @@ protected: /// \brief fetch values identifying atoms /// /// \param[in] columns data row - /// \param[out] chain_name takes atom_site.label_asym_id or, if + /// \param[out] auth_chain_name takes atom_site.label_asym_id or, if /// auth_chain_id_ is set, atom_site.auth_asym_id as a chain name + /// \param[out] cif_chain_name /// \param[out] res_name fetches atom_site.label_comp_id /// \param[out] resnum gets atom_site.label_seq_id if available, consecutive /// numbers, otherwise diff --git a/modules/mol/alg/src/distance_rmsd_test.hh b/modules/mol/alg/src/distance_rmsd_test.hh index 12e4ec86646d7241aa6649f19b512f54cb95df17..bd583ed0210a8f3e276432ba5e75162d6f3ffc85 100644 --- a/modules/mol/alg/src/distance_rmsd_test.hh +++ b/modules/mol/alg/src/distance_rmsd_test.hh @@ -52,7 +52,7 @@ namespace ost { namespace mol { namespace alg { /// If a string is provided as an argument to the function, residue-per-residue statistics are stored as /// residue properties. Specifically, the local residue-based Distance RMSD score is stored in a float property /// as the provided string, while the residue-based sum of squared distances and the number of distances checked -/// are saved in two properties named <string>_sum (a float property) and <string>_count (an int property). +/// are saved in two properties named [string]_sum (a float property) and [string]_count (an int property). std::pair<Real,long int> DLLEXPORT_OST_MOL_ALG DistanceRMSDTest(const EntityView& mdl, const GlobalRDMap& glob_dist_list, diff --git a/modules/mol/alg/src/local_dist_diff_test.hh b/modules/mol/alg/src/local_dist_diff_test.hh index f9013c97566e4edb261bb3ee4e0a2b8be90f53a4..9dd2f230617ac1b0b795ec6a7e467a80c1485655 100644 --- a/modules/mol/alg/src/local_dist_diff_test.hh +++ b/modules/mol/alg/src/local_dist_diff_test.hh @@ -45,7 +45,7 @@ namespace ost { namespace mol { namespace alg { /// If a string is provided as an argument to the function, residue-per-residue statistics are stored as /// residue properties. Specifically, the local residue-based lddt score is stored in a float property named /// as the provided string, while the residue-based number of conserved and total distances are saved in two -/// int properties named <string>_conserved and <string>_total. +/// int properties named [string]_conserved and [string]_total. std::pair<long int,long int> DLLEXPORT_OST_MOL_ALG LocalDistDiffTest(const EntityView& mdl, const GlobalRDMap& dist_list, std::vector<Real> cutoff_list, int sequence_separation = 0, @@ -67,7 +67,7 @@ LocalDistDiffTest(const EntityView& mdl, const GlobalRDMap& dist_list, /// If a string is provided as an argument to the function, residue-per-residue statistics are stored as /// residue properties. Specifically, the local residue-based lddt score is stored in a float property named /// as the provided string, while the residue-based number of conserved and total distances are saved in two -/// int properties named <string>_conserved and <string>_total. +/// int properties named [string]_conserved and [string]_total. Real DLLEXPORT_OST_MOL_ALG LocalDistDiffTest(const EntityView& mdl, const EntityView& target, Real cutoff, diff --git a/modules/mol/base/src/atom_base.hh b/modules/mol/base/src/atom_base.hh index 4ddc13f2f46cea4c19c0e0372bb313b936d51386..c3ec3777d53e836b43d16b9ddd7dfe83f2886226 100644 --- a/modules/mol/base/src/atom_base.hh +++ b/modules/mol/base/src/atom_base.hh @@ -33,10 +33,6 @@ namespace ost { namespace mol { /// /// Groups common functionality for AtomView and AtomHandle. /// -/// Most of the atom properties such as temperature factor, element, radius -/// and charge can be accessed with #GetAtomProps() that returns an object of -/// type AtomProp. -/// /// Like \ref ResidueBase residues, \ref ChainBase "chains" and /// \ref EntityBase "entities" atoms are generic property containers and may as /// such store \ref generic_properties "custom properties". diff --git a/modules/mol/base/src/coord_group.hh b/modules/mol/base/src/coord_group.hh index c9ea57e4efef9f7e07a5f9e868220f50587d050b..754330d6c3b703809ee734e79e53f2afe58558bc 100644 --- a/modules/mol/base/src/coord_group.hh +++ b/modules/mol/base/src/coord_group.hh @@ -64,7 +64,7 @@ public: /// \brief start time in ps, default 0.0 float GetStartTime() const; - /// \rbrief set start time in ps + /// \brief set start time in ps void SetStartTime(float t); /// \brief assign positions to the given frame - order and count must match diff --git a/modules/mol/base/src/editor_base.hh b/modules/mol/base/src/editor_base.hh index a53391767bfb006b7670b3922f9c8ae23872008a..c45036072670958e5eeef9cadb9f23c6def955be 100644 --- a/modules/mol/base/src/editor_base.hh +++ b/modules/mol/base/src/editor_base.hh @@ -153,7 +153,11 @@ public: /// algorithms as well as most builders in the conop module rely on proper /// naming. /// \param pos is the position of the atom in global coordinates - AtomHandle InsertAtom(ResidueHandle residue, const String& name, + /// \param ele + /// \param occupancy + /// \param b_factor + /// \param is_hetatm + AtomHandle InsertAtom(ResidueHandle residue, const String& name, const geom::Vec3& pos, const String& ele="", Real occupancy=1.0, Real b_factor=0.0, bool is_hetatm=false); @@ -194,6 +198,8 @@ public: /// Error will be thrown. /// \param position /// is the alternative position + /// \param occ + /// \param b_factor /// \sa EditorBase::InsertAltAtom(), ResidueHandle void AddAltAtomPos(const String& group, const AtomHandle& atom, const geom::Vec3& position, Real occ=1.0, @@ -301,7 +307,7 @@ public: /// \brief renumber residues of one chain /// - /// \param name + /// \param chain /// All residues of this chain will be renumbered according to the /// parameters start and keep_spacing /// diff --git a/modules/mol/base/src/entity_base.hh b/modules/mol/base/src/entity_base.hh index fb23974d1e346f51862c9ec998d92e7d80049c27..b00ac720e9847e18419786a929d5e869735b0724 100644 --- a/modules/mol/base/src/entity_base.hh +++ b/modules/mol/base/src/entity_base.hh @@ -41,7 +41,7 @@ public: /// \brief Set entity name /// - /// \param entity_name is the new entity name. + /// \param ent_name is the new entity name. /// /// \sa EntityBase::GetName void SetName(const String& ent_name); diff --git a/modules/mol/base/src/entity_handle.hh b/modules/mol/base/src/entity_handle.hh index 5cb26134bb181c3055bc73bed2a71ac23c0a45a4..cb0ab5f0f2f6d694daac83694df3dc3af10d83a1 100644 --- a/modules/mol/base/src/entity_handle.hh +++ b/modules/mol/base/src/entity_handle.hh @@ -250,11 +250,9 @@ public: void FixTransform(); /// \brief get complete list of residues - /// \sa #ResiduesBegin, #ResiduesEnd ResidueHandleList GetResidueList() const; /// \brief get complete list of atoms - /// \sa #AtomsBegin, #AtomsEnd AtomHandleList GetAtomList() const; /// \brief get complete list of atom positions diff --git a/modules/mol/base/src/residue_base.hh b/modules/mol/base/src/residue_base.hh index 993683cb223aaf661704ce0c08c81d16f55f1bbf..30e174b24f80da16914b740e946f54c28f38e6ca 100644 --- a/modules/mol/base/src/residue_base.hh +++ b/modules/mol/base/src/residue_base.hh @@ -62,8 +62,6 @@ namespace ost { namespace mol { /// amino acids, co-enzymes, water coordinated ions, drugs, solvents) as obtained /// from the PDB. /// -/// When loading an entity from file, the one-letter and chemical class of a -/// residue are assigned by the \ref conop::Builder "default builder". class DLLEXPORT_OST_MOL ResidueBase: public GenericPropContainer<ResidueBase> { public: diff --git a/modules/mol/base/src/view_op.hh b/modules/mol/base/src/view_op.hh index 1774b289dc7689166f075500f2ee3c96026e3a35..dea7c29ab58f11f2f70c9c864554c69884592c89 100644 --- a/modules/mol/base/src/view_op.hh +++ b/modules/mol/base/src/view_op.hh @@ -73,7 +73,7 @@ EntityView DLLEXPORT_OST_MOL CreateViewFromAtomList(const AtomViewList& atoms); /// \throw IntegrityError if trying to compare two views that do not point to /// the same entity. /// \return a pair of views. \c first contains the elements that are in \p view1, -/// but not in \p view2, \second contains the elements that are in \p view2 +/// but not in \p view2, \c second contains the elements that are in \p view2 /// but not in \p view1 std::pair<EntityView, EntityView> DLLEXPORT_OST_MOL CompareViews(const EntityView& view1, const EntityView& view2); diff --git a/modules/seq/alg/src/merge_pairwise_alignments.hh b/modules/seq/alg/src/merge_pairwise_alignments.hh index 6a825d2e036af65c03d191fee1064367fbd71a6e..04bc8832d4e6f40dc10084439a3d5bb38eb6a7f6 100644 --- a/modules/seq/alg/src/merge_pairwise_alignments.hh +++ b/modules/seq/alg/src/merge_pairwise_alignments.hh @@ -37,7 +37,7 @@ namespace ost { namespace seq { namespace alg { /// The method does not produce the optimal multiple sequence alignemnt for all /// the sequences. /// -/// \param pairwise_alignments is a list of AlignmentHandles, each containing +/// \param pairwise_alns is a list of AlignmentHandles, each containing /// two sequences /// \param ref_seq is the reference sequence. The reference sequence must not /// contain any gaps.