protocols::sewing::requirements::ClashRequirement Class Reference

a Requirement that an Assembly have less than a certain number of clashes More...

#include <ClashRequirement.hh>

Inheritance diagram for protocols::sewing::requirements::ClashRequirement:

Public Member Functions
	ClashRequirement ()
	ClashRequirement (ClashRequirement const &src)
	~ClashRequirement () override
ClashRequirementOP	clone () const
std::pair< bool, bool >	test (data_storage::SmartAssemblyOP assembly) override
std::string	get_name () override
void	set_options_from_tag (utility::tag::TagCOP requirement_tag, basic::datacache::DataMap &datamap) override
core::Size	get_maximum_clashes_allowed () const
core::Real	get_clash_radius () const
void	set_maximum_clashes_allowed (core::Size)
void	set_clash_radius (core::Real)
Public Member Functions inherited from protocols::sewing::requirements::AssemblyRequirement
virtual	~AssemblyRequirement ()=default
	Destructor. More...
	AssemblyRequirement ()=default
	Prevent direct instantiation: No other constructors allowed. More...
	AssemblyRequirement (AssemblyRequirement const &)=default

Static Public Member Functions
static void	provide_xml_schema (utility::tag::XMLSchemaDefinition &)
static utility::tag::AttributeList	get_xml_attributes ()
static std::string	type_name ()

Private Attributes
core::Size	maximum_clashes_allowed_
core::Real	clash_radius_
std::pair< bool, bool >	test_results_
data_storage::SmartSegmentOP	active_segment_
data_storage::SmartSegmentOP	reference_segment_
core::Size	active_resnum_
core::Size	reference_resnum_
core::Size	partner_resnum_
data_storage::SmartSewingResidueOP	active_residue_
data_storage::SmartSewingResidueOP	reference_residue_
core::Size	current_clashes_

Detailed Description

a Requirement that an Assembly have less than a certain number of clashes

Constructor & Destructor Documentation

protocols::sewing::requirements::ClashRequirement::ClashRequirement

(

)

References clash_radius_, and maximum_clashes_allowed_.

protocols::sewing::requirements::ClashRequirement::ClashRequirement

(

ClashRequirement const &

src

)

References clash_radius_, and maximum_clashes_allowed_.

protocols::sewing::requirements::ClashRequirement::~ClashRequirement ( )

override

Member Function Documentation

ClashRequirementOP protocols::sewing::requirements::ClashRequirement::clone

(

)

const

core::Real protocols::sewing::requirements::ClashRequirement::get_clash_radius

(

)

const

References clash_radius_.

core::Size protocols::sewing::requirements::ClashRequirement::get_maximum_clashes_allowed

(

)

const

References maximum_clashes_allowed_.

std::string protocols::sewing::requirements::ClashRequirement::get_name ( )

inlineoverridevirtual

Implements protocols::sewing::requirements::AssemblyRequirement.

References type_name().

utility::tag::AttributeList protocols::sewing::requirements::ClashRequirement::get_xml_attributes ( )

static

Referenced by provide_xml_schema(), and protocols::sewing::requirements::LigandClashRequirement::provide_xml_schema().

void protocols::sewing::requirements::ClashRequirement::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd )

static

References protocols::sewing::requirements::AssemblyRequirementFactory::assembly_requirement_ct_namer(), get_xml_attributes(), and type_name().

Referenced by protocols::sewing::requirements::ClashRequirementCreator::provide_xml_schema().

void protocols::sewing::requirements::ClashRequirement::set_clash_radius

(

core::Real

setting

)

References clash_radius_.

void protocols::sewing::requirements::ClashRequirement::set_maximum_clashes_allowed

(

core::Size

setting

)

References maximum_clashes_allowed_.

void protocols::sewing::requirements::ClashRequirement::set_options_from_tag ( utility::tag::TagCOP  requirement_tag, basic::datacache::DataMap &  datamap  )

overridevirtual

Implements protocols::sewing::requirements::AssemblyRequirement.

References clash_radius_, maximum_clashes_allowed_, and protocols::sewing::requirements::TR().

std::pair< bool, bool > protocols::sewing::requirements::ClashRequirement::test ( data_storage::SmartAssemblyOP  assembly )

overridevirtual

Implements protocols::sewing::requirements::AssemblyRequirement.

References active_residue_, active_resnum_, active_segment_, clash_radius_, current_clashes_, maximum_clashes_allowed_, partner_resnum_, reference_residue_, reference_resnum_, reference_segment_, test_results_, protocols::sewing::requirements::TR(), and core::conformation::Atom::xyz().

std::string protocols::sewing::requirements::ClashRequirement::type_name ( )

static

Referenced by get_name(), protocols::sewing::requirements::ClashRequirementCreator::keyname(), and provide_xml_schema().

Member Data Documentation

data_storage::SmartSewingResidueOP protocols::sewing::requirements::ClashRequirement::active_residue_

private

Referenced by test().

core::Size protocols::sewing::requirements::ClashRequirement::active_resnum_

private

Referenced by test().

data_storage::SmartSegmentOP protocols::sewing::requirements::ClashRequirement::active_segment_

private

Referenced by test().

core::Real protocols::sewing::requirements::ClashRequirement::clash_radius_

private

Referenced by ClashRequirement(), get_clash_radius(), set_clash_radius(), set_options_from_tag(), and test().

core::Size protocols::sewing::requirements::ClashRequirement::current_clashes_

private

Referenced by test().

core::Size protocols::sewing::requirements::ClashRequirement::maximum_clashes_allowed_

private

Referenced by ClashRequirement(), get_maximum_clashes_allowed(), set_maximum_clashes_allowed(), set_options_from_tag(), and test().

core::Size protocols::sewing::requirements::ClashRequirement::partner_resnum_

private

Referenced by test().

data_storage::SmartSewingResidueOP protocols::sewing::requirements::ClashRequirement::reference_residue_

private

Referenced by test().

core::Size protocols::sewing::requirements::ClashRequirement::reference_resnum_

private

Referenced by test().

data_storage::SmartSegmentOP protocols::sewing::requirements::ClashRequirement::reference_segment_

private

Referenced by test().

std::pair<bool,bool> protocols::sewing::requirements::ClashRequirement::test_results_

private

Referenced by test().

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

• src/protocols/sewing/requirements/ClashRequirement.hh
• src/protocols/sewing/requirements/ClashRequirement.cc