Package rosetta :: Package core :: Package chemical :: Package sdf :: Module _core_chemical_sdf_
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Module _core_chemical_sdf_

Classes [hide private]
  BondData
core/chemical/sdf/mol_util.hh:27
  BondDataAP
  BondDataCAP
  CtabParserBase
core/chemical/sdf/CtabParserBase.hh:26
  CtabParserBaseAP
  CtabParserBaseCAP
  CtabV2000Parser
core/chemical/sdf/CtabV2000Parser.hh:31
  CtabV2000ParserAP
  CtabV2000ParserCAP
  CtabV3000Parser
core/chemical/sdf/CtabV3000Parser.hh:32
  CtabV3000ParserAP
  CtabV3000ParserCAP
  MolFileIOAtom
core/chemical/sdf/MolFileIOData.hh:65
  MolFileIOAtomAP
  MolFileIOAtomCAP
  MolFileIOBond
core/chemical/sdf/MolFileIOData.hh:100
  MolFileIOBondAP
  MolFileIOBondCAP
  MolFileIOMolecule
core/chemical/sdf/MolFileIOData.hh:127
  MolFileIOMoleculeAP
  MolFileIOMoleculeCAP
  MolFileIOReader
core/chemical/sdf/MolFileIOReader.hh:39
  MolFileIOReaderAP
  MolFileIOReaderCAP
  MolWriter
core/chemical/sdf/mol_writer.hh:31
  MolWriterAP
  MolWriterCAP
  SDFParser
core/chemical/sdf/SDFParser.hh:26
  SDFParserAP
  SDFParserCAP
  SingletonBase_T_core_chemical_ChemicalManager_T
SingletonBase is meant to serve as a base class for singleton classes in Rosetta handling the initialization of the singleton in a thread-safe way.
  SingletonBase_T_core_chemical_ChemicalManager_TAP
  SingletonBase_T_core_chemical_ChemicalManager_TCAP
  __CPP_CtabParserBase__
  __CPP_CtabV2000Parser__
  __CPP_CtabV3000Parser__
Functions [hide private]
 
convert_to_ResidueType(...)
convert_to_ResidueType( (object)molfile_data, (AtomTypeSet)atom_types, (ElementSet)element_types, (MMAtomTypeSet)mm_atom_types) -> object : core/chemical/sdf/MolFileIOReader.hh:60
 
dump_graph(...)
dump_graph( (object)graph) -> None : core/chemical/sdf/MolFileIOData.hh:55
 
has(...)
has( (object)graph, (object)ed) -> bool : core/chemical/sdf/MolFileIOData.hh:49
 
parse_atom_type_data(...)
parse_atom_type_data( (str)raw_data) -> map_Size_string : core/chemical/sdf/mol_util.hh:38
 
parse_bond_type_data(...)
parse_bond_type_data( (str)raw_data) -> object : core/chemical/sdf/mol_util.hh:37
Variables [hide private]
  __package__ = None
Function Details [hide private]

convert_to_ResidueType(...)

 

convert_to_ResidueType( (object)molfile_data, (AtomTypeSet)atom_types, (ElementSet)element_types, (MMAtomTypeSet)mm_atom_types) -> object :
    core/chemical/sdf/MolFileIOReader.hh:60

    C++ signature :
        utility::vector1<boost::shared_ptr<core::chemical::ResidueType>, std::allocator<boost::shared_ptr<core::chemical::ResidueType> > > convert_to_ResidueType(utility::vector1<boost::shared_ptr<core::chemical::sdf::MolFileIOMolecule>, std::allocator<boost::shared_ptr<core::chemical::sdf::MolFileIOMolecule> > >,boost::shared_ptr<core::chemical::AtomTypeSet const>,boost::shared_ptr<core::chemical::ElementSet const>,boost::shared_ptr<core::chemical::MMAtomTypeSet const>)

convert_to_ResidueType( (object)molfile_data [, (str)atom_type_tag='fa_standard' [, (str)element_type_tag='default' [, (str)mm_atom_type_tag='fa_standard']]]) -> object :
    core/chemical/sdf/MolFileIOReader.hh:56

    C++ signature :
        utility::vector1<boost::shared_ptr<core::chemical::ResidueType>, std::allocator<boost::shared_ptr<core::chemical::ResidueType> > > convert_to_ResidueType(utility::vector1<boost::shared_ptr<core::chemical::sdf::MolFileIOMolecule>, std::allocator<boost::shared_ptr<core::chemical::sdf::MolFileIOMolecule> > > [,std::string='fa_standard' [,std::string='default' [,std::string='fa_standard']]])

dump_graph(...)

 

dump_graph( (object)graph) -> None :
    core/chemical/sdf/MolFileIOData.hh:55

    C++ signature :
        void dump_graph(boost::undirected_graph<boost::shared_ptr<core::chemical::sdf::MolFileIOAtom>, boost::shared_ptr<core::chemical::sdf::MolFileIOBond>, boost::no_property>)

has(...)

 

has( (object)graph, (object)ed) -> bool :
    core/chemical/sdf/MolFileIOData.hh:49

    C++ signature :
        bool has(boost::undirected_graph<boost::shared_ptr<core::chemical::sdf::MolFileIOAtom>, boost::shared_ptr<core::chemical::sdf::MolFileIOBond>, boost::no_property>,boost::detail::edge_desc_impl<boost::undirected_tag, void*>)

has( (object)graph, (object)vd) -> bool :
    core/chemical/sdf/MolFileIOData.hh:43

    C++ signature :
        bool has(boost::undirected_graph<boost::shared_ptr<core::chemical::sdf::MolFileIOAtom>, boost::shared_ptr<core::chemical::sdf::MolFileIOBond>, boost::no_property>,void*)

parse_atom_type_data(...)

 

parse_atom_type_data( (str)raw_data) -> map_Size_string :
    core/chemical/sdf/mol_util.hh:38

    C++ signature :
        std::map<unsigned long, std::string, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, std::string> > > parse_atom_type_data(std::string)

parse_bond_type_data(...)

 

parse_bond_type_data( (str)raw_data) -> object :
    core/chemical/sdf/mol_util.hh:37

    C++ signature :
        std::set<core::chemical::sdf::BondData, std::less<core::chemical::sdf::BondData>, std::allocator<core::chemical::sdf::BondData> > parse_bond_type_data(std::string)