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protocols::noesy_assign::PeakFileFormat Class Reference

#include <PeakFileFormat.hh>

Inheritance diagram for protocols::noesy_assign::PeakFileFormat:
Inheritance graph
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Public Member Functions

 PeakFileFormat ()
 
 ~PeakFileFormat () override
 
void write_peak (std::ostream &, core::Size ct, CrossPeak const &) const override
 
void write_resonances (std::ostream &, CrossPeak const &) const override
 
void write_strength (std::ostream &, CrossPeak const &) const override
 
void write_assignments (std::ostream &, CrossPeak const &, std::string const &first_line_end) const override
 
virtual void write_assignment (std::ostream &, PeakAssignment const &) const
 
virtual void write_assignment_indent (std::ostream &, CrossPeak const &) const
 
virtual void write_assignment_stats (std::ostream &os, PeakAssignment &pa) const
 
virtual void write_nil_assignment (std::ostream &) const
 
void read_resonances (std::istream &, CrossPeak &) const override
 
void read_assignments (std::istream &is, std::istream &rest_line, CrossPeak &, std::string &next_line) const override
 
void read_strength (std::istream &, CrossPeak &) const override
 
CrossPeakOP read_peak (std::istream &, std::string &next_line) const override
 
void read_header (std::istream &, std::string &next_line) override
 
void output_diagnosis (std::ostream &) const override
 
void set_format_from_peak (CrossPeak const &) override
 
void write_header (std::ostream &) override
 
bool compatible_with_current_format (CrossPeak const &) const override
 
void set_write_atom_names (bool setting=true)
 
bool write_atom_names () const
 
core::Size ncol () const
 
- Public Member Functions inherited from protocols::noesy_assign::PeakFileFormat_Base
 PeakFileFormat_Base ()
 
 ~PeakFileFormat_Base () override
 
void set_filename (std::string str)
 
std::string const & filename () const
 
bool ignore_assignments () const
 
void set_ignore_assignments (bool setting=true)
 
bool write_only_highest_VC () const
 
void set_write_only_highest_VC (bool setting=true)
 
core::Real min_VC_to_write () const
 
void set_min_VC_to_write (core::Real setting)
 
bool ignore_negative_intensity () const
 
void set_ignore_negative_intensity (bool setting=true)
 
void set_minimum_peak_intensity (core::Real setting)
 
core::Real minimum_peak_intensity () const
 

Static Public Member Functions

static void register_options ()
 

Protected Attributes

utility::vector1< std::string > column_labels_
 
utility::vector1< core::Sizecol2proton_
 
utility::vector1< boolcol2islabel_
 
- Protected Attributes inherited from protocols::noesy_assign::PeakFileFormat_Base
CrossPeakInfoOP info1_
 
CrossPeakInfoOP info2_
 
std::string filename_
 

Private Attributes

bool write_atom_names_
 

Static Private Attributes

static bool options_registered_
 

Constructor & Destructor Documentation

protocols::noesy_assign::PeakFileFormat::PeakFileFormat ( )
protocols::noesy_assign::PeakFileFormat::~PeakFileFormat ( )
overridedefault

Member Function Documentation

bool protocols::noesy_assign::PeakFileFormat::compatible_with_current_format ( CrossPeak const &  cp) const
overridevirtual
core::Size protocols::noesy_assign::PeakFileFormat::ncol ( ) const
inline

References col2proton_.

void protocols::noesy_assign::PeakFileFormat::output_diagnosis ( std::ostream &  os) const
overridevirtual
void protocols::noesy_assign::PeakFileFormat::read_assignments ( std::istream &  is,
std::istream &  rest_line,
CrossPeak cp,
std::string &  next_line 
) const
overridevirtual
void protocols::noesy_assign::PeakFileFormat::read_header ( std::istream &  is,
std::string &  next_line 
)
overridevirtual
CrossPeakOP protocols::noesy_assign::PeakFileFormat::read_peak ( std::istream &  is,
std::string &  next_line 
) const
overridevirtual
void protocols::noesy_assign::PeakFileFormat::read_resonances ( std::istream &  is,
CrossPeak cp 
) const
overridevirtual
void protocols::noesy_assign::PeakFileFormat::read_strength ( std::istream &  is,
CrossPeak cp 
) const
overridevirtual
void protocols::noesy_assign::PeakFileFormat::register_options ( )
static
void protocols::noesy_assign::PeakFileFormat::set_format_from_peak ( CrossPeak const &  cp)
overridevirtual
void protocols::noesy_assign::PeakFileFormat::set_write_atom_names ( bool  setting = true)
inline

References write_atom_names_.

void protocols::noesy_assign::PeakFileFormat::write_assignment ( std::ostream &  os,
PeakAssignment const &  pa 
) const
virtual
void protocols::noesy_assign::PeakFileFormat::write_assignment_indent ( std::ostream &  os,
CrossPeak const &  cp 
) const
virtual
void protocols::noesy_assign::PeakFileFormat::write_assignment_stats ( std::ostream &  os,
PeakAssignment pa 
) const
virtual
void protocols::noesy_assign::PeakFileFormat::write_assignments ( std::ostream &  os,
CrossPeak const &  cp,
std::string const &  first_line_end 
) const
overridevirtual
bool protocols::noesy_assign::PeakFileFormat::write_atom_names ( ) const
inline

References write_atom_names_.

void protocols::noesy_assign::PeakFileFormat::write_header ( std::ostream &  os)
overridevirtual
virtual void protocols::noesy_assign::PeakFileFormat::write_nil_assignment ( std::ostream &  ) const
inlinevirtual
void protocols::noesy_assign::PeakFileFormat::write_peak ( std::ostream &  os,
core::Size  ct,
CrossPeak const &  cp 
) const
overridevirtual
void protocols::noesy_assign::PeakFileFormat::write_resonances ( std::ostream &  os,
CrossPeak const &  cp 
) const
overridevirtual
void protocols::noesy_assign::PeakFileFormat::write_strength ( std::ostream &  os,
CrossPeak const &  cp 
) const
overridevirtual

Member Data Documentation

utility::vector1< bool > protocols::noesy_assign::PeakFileFormat::col2islabel_
protected
utility::vector1< core::Size > protocols::noesy_assign::PeakFileFormat::col2proton_
protected

Referenced by ncol().

utility::vector1< std::string > protocols::noesy_assign::PeakFileFormat::column_labels_
protected
bool protocols::noesy_assign::PeakFileFormat::options_registered_
staticprivate
bool protocols::noesy_assign::PeakFileFormat::write_atom_names_
private

The documentation for this class was generated from the following files: