Rosetta  2021.16
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core::chemical::sdf::MolFileIOMolecule Member List

This is the complete list of members for core::chemical::sdf::MolFileIOMolecule, including all inherited members.

add_atom(MolFileIOAtomOP atom)core::chemical::sdf::MolFileIOMolecule
add_bond(MolFileIOBondOP bond)core::chemical::sdf::MolFileIOMolecule
add_str_str_data(std::string const &key, std::string const &value)core::chemical::sdf::MolFileIOMolecule
atom_index(AtomIndex index)core::chemical::sdf::MolFileIOMolecule
convert_to_ResidueType(chemical::AtomTypeSetCOP atom_types, chemical::ElementSetCOP elements, chemical::MMAtomTypeSetCOP mm_atom_types)core::chemical::sdf::MolFileIOMoleculeinline
convert_to_ResidueType(std::map< AtomIndex, std::string > &index_name_map, chemical::AtomTypeSetCOP atom_types, chemical::ElementSetCOP elements, chemical::MMAtomTypeSetCOP mm_atom_types)core::chemical::sdf::MolFileIOMolecule
create_dummy_atom(MutableResidueTypeOP restype, std::string atom_name, core::Vector const &xyz_offset, chemical::ElementSetCOP elements, chemical::MMAtomTypeSetCOP mm_atom_types)core::chemical::sdf::MolFileIOMoleculeprivate
get_str_str_data() const core::chemical::sdf::MolFileIOMoleculeinline
index_atom_map_core::chemical::sdf::MolFileIOMoleculeprivate
index_valid(AtomIndex index, MutableResidueType const &restype, std::map< mioAD, core::chemical::VD > &restype_from_mio)core::chemical::sdf::MolFileIOMoleculeprivate
molecule_string_data_core::chemical::sdf::MolFileIOMoleculeprivate
MolFileIOMolecule()core::chemical::sdf::MolFileIOMolecule
molgraph_core::chemical::sdf::MolFileIOMoleculeprivate
name() const core::chemical::sdf::MolFileIOMoleculeinline
name(std::string name)core::chemical::sdf::MolFileIOMoleculeinline
name_core::chemical::sdf::MolFileIOMoleculeprivate
normalize()core::chemical::sdf::MolFileIOMolecule
parse_multi(std::istream &estream, utility::vector1< std::string > &parsed, std::string label) const core::chemical::sdf::MolFileIOMoleculeprivate
set_from_extra_data(MutableResidueType &restype, std::map< mioAD, core::chemical::VD > &restype_from_mio)core::chemical::sdf::MolFileIOMoleculeprivate
~MolFileIOMolecule() overridecore::chemical::sdf::MolFileIOMolecule