#include <PeakFileFormat_xpk.hh>

Inheritance diagram for protocols::noesy_assign::PeakFileFormat_xpk:

Collaboration diagram for protocols::noesy_assign::PeakFileFormat_xpk:

Public Member Functions
	PeakFileFormat_xpk ()

	PeakFileFormat_xpk (ResonanceListOP const &)

virtual void	set_format_from_peak (CrossPeak const &)

virtual void	write_peak (std::ostream &, core::Size ct, CrossPeak const &) const

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 &, PeakAssignment &) const

virtual void	write_nil_assignment (std::ostream &) const

virtual void	write_header (std::ostream &)

Public Member Functions inherited from protocols::noesy_assign::PeakFileFormat
	PeakFileFormat ()

	PeakFileFormat (ResonanceListOP const &)

virtual	~PeakFileFormat ()

virtual void	write_resonances (std::ostream &, CrossPeak const &) const

virtual void	write_strength (std::ostream &, CrossPeak const &) const

virtual void	write_assignments (std::ostream &, CrossPeak const &, std::string const &first_line_end) const

virtual void	read_resonances (std::istream &, CrossPeak &) const

virtual void	read_assignments (std::istream &is, std::istream &rest_line, CrossPeak &, std::string &next_line) const

virtual void	read_strength (std::istream &, CrossPeak &) const

virtual CrossPeakOP	read_peak (std::istream &, std::string &next_line) const

virtual void	read_header (std::istream &, std::string &next_line)

virtual void	output_diagnosis (std::ostream &) const

virtual bool	compatible_with_current_format (CrossPeak const &) const

void	set_write_atom_names (bool setting=true)

bool	write_atom_names () const

core::Size	ncol () const

ResonanceList const &	resonances () const

Public Member Functions inherited from protocols::noesy_assign::PeakFileFormat_Base
	PeakFileFormat_Base ()

virtual	~PeakFileFormat_Base ()

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)

Additional Inherited Members
Static Public Member Functions inherited from protocols::noesy_assign::PeakFileFormat
static void	register_options ()

Protected Attributes inherited from protocols::noesy_assign::PeakFileFormat
utility::vector1< std::string >	column_labels_

utility::vector1< core::Size >	col2proton_

utility::vector1< bool >	col2islabel_

Detailed Description

Definition at line 43 of file PeakFileFormat_xpk.hh.

Constructor & Destructor Documentation

protocols::noesy_assign::PeakFileFormat_xpk::PeakFileFormat_xpk ( )

inline

Definition at line 45 of file PeakFileFormat_xpk.hh.

protocols::noesy_assign::PeakFileFormat_xpk::PeakFileFormat_xpk ( ResonanceListOP const & res)

Definition at line 64 of file PeakFileFormat_xpk.cc.

Member Function Documentation

void protocols::noesy_assign::PeakFileFormat_xpk::set_format_from_peak ( CrossPeak const & cp)

virtual

Reimplemented from protocols::noesy_assign::PeakFileFormat.

Definition at line 85 of file PeakFileFormat_xpk.cc.

References protocols::noesy_assign::PeakFileFormat::col2islabel_, protocols::noesy_assign::PeakFileFormat::col2proton_, protocols::noesy_assign::CrossPeakInfo::has_label(), protocols::noesy_assign::CrossPeak::info(), protocols::noesy_assign::PeakFileFormat_Base::info1_, and protocols::noesy_assign::PeakFileFormat_Base::info2_.

void protocols::noesy_assign::PeakFileFormat_xpk::write_assignment	(	std::ostream &	os,
		PeakAssignment const &	pa
	)		const

virtual

Reimplemented from protocols::noesy_assign::PeakFileFormat.

Definition at line 147 of file PeakFileFormat_xpk.cc.

void protocols::noesy_assign::PeakFileFormat_xpk::write_assignment_indent	(	std::ostream &	os,
		CrossPeak const &
	)		const

virtual

Reimplemented from protocols::noesy_assign::PeakFileFormat.

Definition at line 138 of file PeakFileFormat_xpk.cc.

virtual void protocols::noesy_assign::PeakFileFormat_xpk::write_assignment_stats	(	std::ostream &	,
		PeakAssignment &
	)		const

inlinevirtual

Reimplemented from protocols::noesy_assign::PeakFileFormat.

Definition at line 56 of file PeakFileFormat_xpk.hh.

void protocols::noesy_assign::PeakFileFormat_xpk::write_header ( std::ostream & )

virtual

Reimplemented from protocols::noesy_assign::PeakFileFormat.

Definition at line 113 of file PeakFileFormat_xpk.cc.

void protocols::noesy_assign::PeakFileFormat_xpk::write_nil_assignment ( std::ostream & os) const

virtual

Reimplemented from protocols::noesy_assign::PeakFileFormat.

Definition at line 143 of file PeakFileFormat_xpk.cc.

void protocols::noesy_assign::PeakFileFormat_xpk::write_peak	(	std::ostream &	os,
		core::Size	ct,
		CrossPeak const &	cp
	)		const

virtual

Reimplemented from protocols::noesy_assign::PeakFileFormat.

Definition at line 68 of file PeakFileFormat_xpk.cc.

References protocols::noesy_assign::CrossPeak::distance_bound(), protocols::noesy_assign::CrossPeak::eliminated(), protocols::noesy_assign::CrossPeak::elimination_reason(), protocols::noesy_assign::PeakFileFormat::write_assignments(), and protocols::noesy_assign::PeakFileFormat::write_resonances().

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

src/protocols/noesy_assign/PeakFileFormat_xpk.hh
src/protocols/noesy_assign/PeakFileFormat_xpk.cc

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation