protocols::noesy_assign::CovalentCompliance Class Reference

#include <CovalentCompliance.hh>

Collaboration diagram for protocols::noesy_assign::CovalentCompliance:

Public Member Functions
void	load_dist_table (std::string const &file)
bool	is_compliant (core::id::NamedAtomID const &atom1, core::id::NamedAtomID const &atom2, core::Real cutoff=5.0) const
core::Real	distance (core::id::NamedAtomID const &atom1, core::id::NamedAtomID const &atom2) const

Static Public Member Functions
static CovalentCompliance const *	get_instance ()
static CovalentCompliance *	get_nonconst_instance ()

Private Member Functions
	CovalentCompliance ()

Private Attributes
FragsToAtomDistOP	covalent_distances_

Static Private Attributes
static CovalentCompliance *	instance_

Detailed Description

Definition at line 35 of file CovalentCompliance.hh.

Constructor & Destructor Documentation

protocols::noesy_assign::CovalentCompliance::CovalentCompliance ( )

private

Definition at line 94 of file CovalentCompliance.cc.

Referenced by get_instance(), and get_nonconst_instance().

Member Function Documentation

core::Real protocols::noesy_assign::CovalentCompliance::distance	(	core::id::NamedAtomID const &	atom1,
		core::id::NamedAtomID const &	atom2
	)		const

Definition at line 124 of file CovalentCompliance.cc.

References covalent_distances_, and protocols::noesy_assign::fall_back().

CovalentCompliance const * protocols::noesy_assign::CovalentCompliance::get_instance ( )

static

Definition at line 98 of file CovalentCompliance.cc.

References CovalentCompliance(), and instance_.

Referenced by protocols::noesy_assign::covalent_compliance().

CovalentCompliance * protocols::noesy_assign::CovalentCompliance::get_nonconst_instance ( )

static

Definition at line 105 of file CovalentCompliance.cc.

References CovalentCompliance(), and instance_.

Referenced by protocols::noesy_assign::NoesyModule::read_input_files().

bool protocols::noesy_assign::CovalentCompliance::is_compliant	(	core::id::NamedAtomID const &	atom1,
		core::id::NamedAtomID const &	atom2,
		core::Real	cutoff = 5.0
	)		const

Definition at line 116 of file CovalentCompliance.cc.

References covalent_distances_, and protocols::noesy_assign::fall_back().

Referenced by protocols::noesy_assign::covalent_compliance().

void protocols::noesy_assign::CovalentCompliance::load_dist_table

(

std::string const &

file)

Definition at line 112 of file CovalentCompliance.cc.

References covalent_distances_.

Referenced by protocols::noesy_assign::NoesyModule::read_input_files().

Member Data Documentation

FragsToAtomDistOP protocols::noesy_assign::CovalentCompliance::covalent_distances_

private

Definition at line 49 of file CovalentCompliance.hh.

Referenced by distance(), is_compliant(), and load_dist_table().

CovalentCompliance * protocols::noesy_assign::CovalentCompliance::instance_

staticprivate

Definition at line 48 of file CovalentCompliance.hh.

Referenced by get_instance(), and get_nonconst_instance().

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

• src/protocols/noesy_assign/CovalentCompliance.hh
• src/protocols/noesy_assign/CovalentCompliance.cc