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Rosetta
2016.11
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shared information about CrossPeak (one for each proton dimension) More...
#include <CrossPeakInfo.hh>
Public Member Functions | |
virtual | ~CrossPeakInfo () |
Automatically generated virtual destructor for class deriving directly from ReferenceCount. More... | |
CrossPeakInfo (std::string const &proton, std::string const &label, core::Real max_noe_distance, core::Real proton_tolerance, core::Real label_tolerance) | |
std::string const & | main_atom () const |
std::string const & | label_atom_type () const |
core::Real const & | proton_tolerance () const |
core::Real const & | label_tolerance () const |
bool | has_label () const |
std::string | label_atom_name (std::string const &proton_name, core::chemical::AA aa) const |
void | set_label (std::string label, core::Real tolerance) |
void | set_proton (std::string name, core::Real tolerance) |
bool | operator== (CrossPeakInfo const &cpi) const |
void | set_filename (std::string filename) |
std::string const & | filename () const |
core::Real | max_noe_distance () const |
size_t | exp_hash () const |
void | show (std::ostream &) const |
FoldResonance const & | fold_label_resonance () const |
FoldResonance const & | fold_proton_resonance () const |
void | set_folding_window (core::Real start, core::Real end, bool label=true) |
Private Attributes | |
std::string | proton_atom_name_ |
std::string | label_atom_type_ |
core::Real | max_noe_distance_ |
core::Real | proton_tolerance_ |
core::Real | label_tolerance_ |
std::string | filename_ |
size_t | exp_hash_ |
FoldResonance | fold_label_resonance_ |
FoldResonance | fold_proton_resonance_ |
shared information about CrossPeak (one for each proton dimension)
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Automatically generated virtual destructor for class deriving directly from ReferenceCount.
Auto-generated virtual destructor
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References exp_hash_.
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References filename_.
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References fold_label_resonance_.
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References fold_proton_resonance_.
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References label_atom_type_, and label_tolerance_.
std::string protocols::noesy_assign::CrossPeakInfo::label_atom_name | ( | std::string const & | proton_name, |
core::chemical::AA | aa | ||
) | const |
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References label_atom_type_.
Referenced by protocols::noesy_assign::CrossPeak::print_peak_info().
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References label_tolerance_.
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References proton_atom_name_.
Referenced by protocols::noesy_assign::CrossPeak::print_peak_info().
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References max_noe_distance_.
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References label_atom_type_, label_tolerance_, proton_atom_name_, and proton_tolerance_.
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References proton_tolerance_.
Referenced by protocols::noesy_assign::CrossPeak::has_proton().
void protocols::noesy_assign::CrossPeakInfo::set_filename | ( | std::string | filename | ) |
References protocols::abinitio::filename(), and boost::tuples::hash_value().
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References label_atom_type_, and label_tolerance_.
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References proton_atom_name_, and proton_tolerance_.
void protocols::noesy_assign::CrossPeakInfo::show | ( | std::ostream & | os | ) | const |
Referenced by protocols::noesy_assign::operator<<().
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Referenced by exp_hash().
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Referenced by filename().
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Referenced by fold_label_resonance(), and set_folding_window().
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Referenced by fold_proton_resonance(), and set_folding_window().
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Referenced by has_label(), label_atom_type(), operator==(), and set_label().
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Referenced by has_label(), label_tolerance(), operator==(), and set_label().
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Referenced by max_noe_distance().
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Referenced by main_atom(), operator==(), and set_proton().
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Referenced by operator==(), proton_tolerance(), and set_proton().