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Rosetta Core
2014.35
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#include <SymmData.hh>
Public Types | |
typedef numeric::xyzVector < core::Real > | Vector |
typedef numeric::xyzMatrix < core::Real > | Matrix |
Public Member Functions | |
SymmData () | |
SymmData (core::Size nres, core::Size njump) | |
SymmData (SymmData const &) | |
SymmDataOP | clone () const |
virtual | ~SymmData () |
void | read_symmetry_data_from_file (std::string filename) |
void | read_symmetry_data_from_stream (std::istream &infile) |
void | sanity_check () |
void | show () |
std::string const & | get_symmetry_name () const |
std::string const & | get_symmetry_type () const |
core::Size | get_subunits () const |
core::Size | get_num_components () const |
core::Size | get_interfaces () const |
core::Size | get_score_subunit () const |
std::string const & | get_anchor_residue () const |
bool | get_recenter () const |
core::Size | get_root () const |
utility::vector1< Size > const & | get_score_multiply_subunit () const |
utility::vector1< Size > const & | get_include_subunit () const |
utility::vector1< Size > const & | get_output_subunit () const |
std::vector < numeric::xyzMatrix < core::Real > > const & | get_rotation_matrix () const |
std::vector < numeric::xyzMatrix < core::Real > > const & | get_translation_matrix () const |
std::map< std::string, VirtualCoordinate > const & | get_virtual_coordinates () const |
core::Size | get_num_virtual () const |
std::map< Size, SymDof > const & | get_dofs () const |
std::map< Size, WtedClones > const & | get_jump_clones () const |
std::map< std::string, Size > const & | get_jump_string_to_jump_num () const |
std::map< std::string, Size > const & | get_virtual_id_to_num () const |
std::map< std::string, Size > const & | get_virt_id_to_subunit_num () const |
std::map< std::string, char > const & | get_virt_id_to_subunit_chain () const |
std::map< std::string, std::string > const & | get_virt_id_to_subunit_residue () const |
std::map< Size, std::string > const & | get_subunit_num_to_virt_id () const |
std::map< Size, std::string > const & | get_virtual_num_to_id () const |
std::map< std::string, std::pair< std::string, std::string > > const & | get_virtual_connects () const |
SymSlideInfo const & | get_slide_info () const |
void | set_symmetry_name (std::string symm_name) |
void | set_symmetry_type (std::string symm_type) |
void | set_subunits (core::Size num_subunits) |
void | set_interfaces (core::Size interfaces) |
void | set_anchor_residue (std::string anchor) |
void | set_score_multiply_subunit (utility::vector1< Size > &score_multiply_vector) |
void | set_slide_info (SymSlideInfo slide_info) |
void | set_rotation_matrix (std::vector< numeric::xyzMatrix< core::Real > > rotation_matrices) |
void | set_translation_matrix (std::vector< numeric::xyzMatrix< core::Real > > translation_matrices) |
void | set_symm_transforms (std::vector< std::vector< std::string > > symm_transforms) |
utility::vector1< char > const & | get_components () const |
std::map< std::string, char > const & | get_subunit_name_to_component () const |
std::map< std::string, utility::vector1< char > > const & | get_jump_name_to_components () const |
std::map< std::string, utility::vector1< Size > > const & | get_jump_name_to_subunits () const |
std::string const & | get_parent_jump (std::string const &jname) const |
std::string const & | get_parent_virtual (std::string const &vname) const |
bool | is_ancestor_virtual (std::string const &ancestor, std::string const &child) const |
std::string const & | get_least_common_ancertor_jump (std::string const &jname1, std::string const &jname2) const |
std::string const & | get_least_common_ancertor_virtual (std::string const &vname1, std::string const &vname2) const |
utility::vector1< char > | components_moved_by_jump (std::string const &jname) const |
utility::vector1< Size > | subunits_moved_by_jump (std::string const &jname) const |
Private Types | |
typedef utility::vector1 < std::pair< Size, Real > > | WtedClones |
Private Member Functions | |
utility::vector1< std::string > | leaves_of_jump (std::string const &jname) const |
Friends | |
bool | operator== (SymmData const &a, SymmData const &b) |
bool | operator!= (SymmData const &a, SymmData const &b) |
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core::conformation::symmetry::SymmData::SymmData | ( | ) |
Referenced by clone().
core::conformation::symmetry::SymmData::SymmData | ( | core::Size | nres, |
core::Size | njump | ||
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core::conformation::symmetry::SymmData::SymmData | ( | SymmData const & | src | ) |
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SymmDataOP core::conformation::symmetry::SymmData::clone | ( | ) | const |
References SymmData().
vector1< char > core::conformation::symmetry::SymmData::components_moved_by_jump | ( | std::string const & | jname | ) | const |
References leaves_of_jump(), and virt_id_to_subunit_chain_.
Referenced by read_symmetry_data_from_stream(), and core::conformation::symmetry::setup_symmetric_conformation().
string const & core::conformation::symmetry::SymmData::get_anchor_residue | ( | ) | const |
utility::vector1< char > const & core::conformation::symmetry::SymmData::get_components | ( | ) | const |
References components_.
Referenced by core::conformation::symmetry::setup_symmetric_conformation().
References dofs_.
Referenced by core::conformation::symmetry::SymmetryInfo::SymmetryInfo().
References include_subunit_.
core::Size core::conformation::symmetry::SymmData::get_interfaces | ( | ) | const |
References interfaces_.
Referenced by core::conformation::symmetry::SymmetryInfo::SymmetryInfo().
map< Size, WtedClones > const & core::conformation::symmetry::SymmData::get_jump_clones | ( | ) | const |
References jump_clones_.
Referenced by core::conformation::symmetry::SymmetryInfo::SymmetryInfo().
std::map< std::string, utility::vector1< char > > const & core::conformation::symmetry::SymmData::get_jump_name_to_components | ( | ) | const |
References jname2components_.
Referenced by core::conformation::symmetry::setup_symmetric_conformation().
std::map< std::string, utility::vector1< Size > > const & core::conformation::symmetry::SymmData::get_jump_name_to_subunits | ( | ) | const |
References jname2subunits_.
Referenced by core::conformation::symmetry::setup_symmetric_conformation().
map< string, Size > const & core::conformation::symmetry::SymmData::get_jump_string_to_jump_num | ( | ) | const |
References jump_string_to_jump_num_.
Referenced by core::conformation::symmetry::SymmetryInfo::SymmetryInfo().
std::string const & core::conformation::symmetry::SymmData::get_least_common_ancertor_jump | ( | std::string const & | jname1, |
std::string const & | jname2 | ||
) | const |
References get_parent_jump(), and core::conformation::symmetry::NOPARENT.
std::string const & core::conformation::symmetry::SymmData::get_least_common_ancertor_virtual | ( | std::string const & | vname1, |
std::string const & | vname2 | ||
) | const |
References get_parent_virtual(), and core::conformation::symmetry::NOPARENT.
core::Size core::conformation::symmetry::SymmData::get_num_components | ( | ) | const |
References num_components_.
Referenced by core::conformation::symmetry::set_fold_tree_from_symm_data(), and core::conformation::symmetry::setup_symmetric_conformation().
core::Size core::conformation::symmetry::SymmData::get_num_virtual | ( | ) | const |
References virtual_coordinates_.
Referenced by core::conformation::symmetry::SymmetryInfo::SymmetryInfo().
References output_subunit_.
std::string const & core::conformation::symmetry::SymmData::get_parent_jump | ( | std::string const & | jname | ) | const |
References jump_string_to_virtual_pair_, core::conformation::symmetry::NOPARENT, and utility_exit_with_message.
Referenced by get_least_common_ancertor_jump().
std::string const & core::conformation::symmetry::SymmData::get_parent_virtual | ( | std::string const & | vname | ) | const |
References jump_string_to_virtual_pair_, and core::conformation::symmetry::NOPARENT.
Referenced by get_least_common_ancertor_virtual(), and is_ancestor_virtual().
bool core::conformation::symmetry::SymmData::get_recenter | ( | ) | const |
References recenter_.
Referenced by core::conformation::symmetry::setup_symmetric_conformation().
core::Size core::conformation::symmetry::SymmData::get_root | ( | ) | const |
References root_.
Referenced by core::conformation::symmetry::setup_symmetric_conformation().
vector< numeric::xyzMatrix< core::Real > > const & core::conformation::symmetry::SymmData::get_rotation_matrix | ( | ) | const |
References rotation_matrices_.
vector1< Size > const & core::conformation::symmetry::SymmData::get_score_multiply_subunit | ( | ) | const |
References score_multiply_subunit_.
Referenced by core::conformation::symmetry::SymmetryInfo::SymmetryInfo().
core::Size core::conformation::symmetry::SymmData::get_score_subunit | ( | ) | const |
References score_subunit_.
Referenced by core::conformation::symmetry::SymmetryInfo::SymmetryInfo().
SymSlideInfo const & core::conformation::symmetry::SymmData::get_slide_info | ( | ) | const |
References slide_info_.
Referenced by core::conformation::symmetry::SymmetryInfo::SymmetryInfo().
std::map< std::string, char > const & core::conformation::symmetry::SymmData::get_subunit_name_to_component | ( | ) | const |
References name2component_.
Referenced by core::conformation::symmetry::setup_symmetric_conformation().
map< Size, string > const & core::conformation::symmetry::SymmData::get_subunit_num_to_virt_id | ( | ) | const |
References subunit_num_to_virt_id_.
core::Size core::conformation::symmetry::SymmData::get_subunits | ( | ) | const |
string const & core::conformation::symmetry::SymmData::get_symmetry_name | ( | ) | const |
References symmetry_name_.
string const & core::conformation::symmetry::SymmData::get_symmetry_type | ( | ) | const |
References symmetry_type_.
vector< numeric::xyzMatrix< core::Real > > const & core::conformation::symmetry::SymmData::get_translation_matrix | ( | ) | const |
References translation_matrices_.
map< string, char > const & core::conformation::symmetry::SymmData::get_virt_id_to_subunit_chain | ( | ) | const |
References virt_id_to_subunit_chain_.
Referenced by core::conformation::symmetry::set_fold_tree_from_symm_data().
map< string, Size > const & core::conformation::symmetry::SymmData::get_virt_id_to_subunit_num | ( | ) | const |
References virt_id_to_subunit_num_.
Referenced by core::conformation::symmetry::set_fold_tree_from_symm_data().
map< string, string > const & core::conformation::symmetry::SymmData::get_virt_id_to_subunit_residue | ( | ) | const |
References virt_id_to_subunit_residue_.
Referenced by core::conformation::symmetry::set_fold_tree_from_symm_data().
map< string, pair< string, string > > const & core::conformation::symmetry::SymmData::get_virtual_connects | ( | ) | const |
map< string, VirtualCoordinate > const & core::conformation::symmetry::SymmData::get_virtual_coordinates | ( | ) | const |
map< string, Size > const & core::conformation::symmetry::SymmData::get_virtual_id_to_num | ( | ) | const |
References virt_id_to_virt_num_.
Referenced by core::conformation::symmetry::set_fold_tree_from_symm_data().
map< Size, string > const & core::conformation::symmetry::SymmData::get_virtual_num_to_id | ( | ) | const |
bool core::conformation::symmetry::SymmData::is_ancestor_virtual | ( | std::string const & | ancestor, |
std::string const & | child | ||
) | const |
References get_parent_virtual(), and core::conformation::symmetry::NOPARENT.
Referenced by leaves_of_jump().
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References is_ancestor_virtual(), jump_string_to_virtual_pair_, utility_exit_with_message, and virt_id_to_subunit_num_.
Referenced by components_moved_by_jump(), and subunits_moved_by_jump().
void core::conformation::symmetry::SymmData::read_symmetry_data_from_file | ( | std::string | filename | ) |
References read_symmetry_data_from_stream(), and utility_exit_with_message.
void core::conformation::symmetry::SymmData::read_symmetry_data_from_stream | ( | std::istream & | infile | ) |
References core::conformation::symmetry::VirtualCoordinate::add_coordinate_from_string(), core::conformation::symmetry::SymDof::add_dof_from_string(), anchor_residue_, angle, core::conformation::symmetry::CEN_DOCK_SCORE, chain, numeric::xyzMatrix< Real >::cols(), components_, components_moved_by_jump(), core::conformation::symmetry::CONTACTS, numeric::xyzVector< class >::cross(), numeric::xyzVector< class >::distance(), numeric::xyzTransform< class >::distance(), dofs_, core::conformation::symmetry::FA_REP_SCORE, get_anchor_residue(), core::conformation::symmetry::VirtualCoordinate::get_origin(), core::conformation::symmetry::VirtualCoordinate::get_x(), core::conformation::symmetry::VirtualCoordinate::get_y(), getline(), include_subunit_, interfaces_, jname2components_, jname2subunits_, jump_clones_, jump_string_to_jump_num_, jump_string_to_virtual_pair_, core::chemical::element::N, name2component_, numeric::xyzVector< class >::normalized(), num_components_, core::conformation::symmetry::ORDERED_SEQUENTIAL, output_subunit_, core::conformation::symmetry::RANDOM, recenter_, root_, numeric::rotation_matrix_degrees(), runtime_assert, sanity_check(), score_subunit_, core::conformation::symmetry::SEQUENTIAL, set_score_multiply_subunit(), core::conformation::symmetry::SymSlideInfo::set_slide_order(), core::conformation::symmetry::SymSlideInfo::set_slide_type(), core::conformation::symmetry::SymSlideInfo::set_SlideCriteriaType(), core::conformation::symmetry::SymSlideInfo::set_SlideCriteriaVal(), show(), slide_info_, slide_order_string_, utility::split(), split(), utility::string2int(), utility::string_split(), subunit_num_to_virt_id_, subunits_, subunits_moved_by_jump(), symmetry_name_, tag, core::conformation::symmetry::TR, utility::trim(), utility_exit_with_message, virt_id_to_subunit_chain_, virt_id_to_subunit_num_, virt_id_to_subunit_residue_, virt_id_to_virt_num_, virt_num_to_virt_id_, and virtual_coordinates_.
Referenced by read_symmetry_data_from_file().
void core::conformation::symmetry::SymmData::sanity_check | ( | ) |
void core::conformation::symmetry::SymmData::set_anchor_residue | ( | std::string | anchor | ) |
References anchor_residue_.
void core::conformation::symmetry::SymmData::set_interfaces | ( | core::Size | interfaces | ) |
References interfaces_.
void core::conformation::symmetry::SymmData::set_rotation_matrix | ( | std::vector< numeric::xyzMatrix< core::Real > > | rotation_matrices | ) |
References rotation_matrices_.
void core::conformation::symmetry::SymmData::set_score_multiply_subunit | ( | utility::vector1< Size > & | score_multiply_vector | ) |
References score_multiply_subunit_.
Referenced by read_symmetry_data_from_stream().
void core::conformation::symmetry::SymmData::set_slide_info | ( | SymSlideInfo | slide_info | ) |
References slide_info_.
void core::conformation::symmetry::SymmData::set_subunits | ( | core::Size | num_subunits | ) |
References subunits_.
void core::conformation::symmetry::SymmData::set_symm_transforms | ( | std::vector< std::vector< std::string > > | symm_transforms | ) |
References symm_transforms_.
void core::conformation::symmetry::SymmData::set_symmetry_name | ( | std::string | symm_name | ) |
References symmetry_name_.
void core::conformation::symmetry::SymmData::set_symmetry_type | ( | std::string | symm_type | ) |
References symmetry_type_.
void core::conformation::symmetry::SymmData::set_translation_matrix | ( | std::vector< numeric::xyzMatrix< core::Real > > | translation_matrices | ) |
References translation_matrices_.
void core::conformation::symmetry::SymmData::show | ( | ) |
References core::conformation::symmetry::SymDof::allow_dof(), anchor_residue_, core::conformation::symmetry::CEN_DOCK_SCORE, core::conformation::symmetry::CONTACTS, dofs_, core::conformation::symmetry::FA_REP_SCORE, core::conformation::symmetry::VirtualCoordinate::get_origin(), core::conformation::symmetry::SymSlideInfo::get_slide_type(), core::conformation::symmetry::SymSlideInfo::get_SlideCriteriaType(), core::conformation::symmetry::SymSlideInfo::get_SlideCriteriaVal(), core::conformation::symmetry::VirtualCoordinate::get_x(), core::conformation::symmetry::VirtualCoordinate::get_y(), include_subunit_, interfaces_, core::conformation::symmetry::SymDof::jump_direction(), jump_string_to_virtual_pair_, core::conformation::symmetry::ORDERED_SEQUENTIAL, output_subunit_, core::conformation::symmetry::RANDOM, core::conformation::symmetry::SymDof::range1_lower(), core::conformation::symmetry::SymDof::range1_upper(), core::conformation::symmetry::SymDof::range2_lower(), core::conformation::symmetry::SymDof::range2_upper(), score_subunit_, core::conformation::symmetry::SEQUENTIAL, slide_info_, slide_order_string_, subunits_, symmetry_name_, core::conformation::symmetry::TR, virt_num_to_virt_id_, and virtual_coordinates_.
Referenced by read_symmetry_data_from_stream().
vector1< Size > core::conformation::symmetry::SymmData::subunits_moved_by_jump | ( | std::string const & | jname | ) | const |
References leaves_of_jump(), and virt_id_to_subunit_num_.
Referenced by read_symmetry_data_from_stream(), and core::conformation::symmetry::setup_symmetric_conformation().
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Referenced by core::conformation::symmetry::operator==().
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Referenced by get_components(), core::conformation::symmetry::operator==(), and read_symmetry_data_from_stream().
Referenced by get_dofs(), core::conformation::symmetry::operator==(), read_symmetry_data_from_stream(), and show().
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Referenced by get_jump_clones(), core::conformation::symmetry::operator==(), and read_symmetry_data_from_stream().
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Referenced by get_output_subunit(), core::conformation::symmetry::operator==(), read_symmetry_data_from_stream(), and show().
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Referenced by get_recenter(), core::conformation::symmetry::operator==(), and read_symmetry_data_from_stream().
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Referenced by get_root(), core::conformation::symmetry::operator==(), and read_symmetry_data_from_stream().
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Referenced by get_rotation_matrix(), core::conformation::symmetry::operator==(), and set_rotation_matrix().
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Referenced by get_score_subunit(), core::conformation::symmetry::operator==(), read_symmetry_data_from_stream(), and show().
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Referenced by core::conformation::symmetry::operator==(), read_symmetry_data_from_stream(), and show().
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Referenced by core::conformation::symmetry::operator==(), and set_symm_transforms().
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Referenced by get_symmetry_type(), core::conformation::symmetry::operator==(), and set_symmetry_type().
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Referenced by get_translation_matrix(), core::conformation::symmetry::operator==(), and set_translation_matrix().
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