CASM::clex_SimpleStructureTools_impl::TransformDirective Class Reference

Detailed Description

Class that helps manage which order DoF are applied to a SimpleStructure when building it from a Configuration. Each TransformDirective applies one DoF type or "atomizes" molecules (populating SimpleStructure::atom_info from SimpleStructure::mol_info). It is meant to be stored in a std::set<TransformDirective> and has a comparison operator and uses information from AnisoValTraits to appropriately order TransformDirective in the set. Then they can be applied sequentially (using transform) to build the SimpleStructure.

Definition at line 136 of file SimpleStructureTools.cc.

Public Member Functions
	TransformDirective (std::string const &_name)
	consturct from transformation or DoF type name More...
std::string const &	name () const
	Name of DoFType or transformation. More...
bool	operator< (TransformDirective const &_other) const
	Compare with _other TransformDirective. Returns true if this TransformDirective has precedence. More...
void	transform (ConfigDoF const &_config, xtal::BasicStructure const &_reference, xtal::SimpleStructure &_struc) const
	Applies transformation to _struc using information contained in _config. More...

Private Member Functions
void	_accumulate_before (std::set< std::string > const &_queue, std::set< std::string > &_result) const
	Build m_before object by recursively traversing DoF dependencies. More...
void	_accumulate_after (std::set< std::string > const &_queue, std::set< std::string > &_result) const
	Build m_after object by recursively traversing DoF dependencies. More...

Private Attributes
std::string	m_name
std::set< std::string >	m_before
std::set< std::string >	m_after
DoFType::Traits const *	m_traits_ptr

Constructor & Destructor Documentation

TransformDirective()

CASM::clex_SimpleStructureTools_impl::TransformDirective::TransformDirective

(

std::string const &

_name

)

consturct from transformation or DoF type name

Definition at line 190 of file SimpleStructureTools.cc.

Member Function Documentation

_accumulate_after()

void CASM::clex_SimpleStructureTools_impl::TransformDirective::_accumulate_after ( std::set< std::string > const &  _queue, std::set< std::string > &  _result  ) const

private

Build m_after object by recursively traversing DoF dependencies.

Definition at line 219 of file SimpleStructureTools.cc.

_accumulate_before()

void CASM::clex_SimpleStructureTools_impl::TransformDirective::_accumulate_before ( std::set< std::string > const &  _queue, std::set< std::string > &  _result  ) const

private

Build m_before object by recursively traversing DoF dependencies.

Definition at line 210 of file SimpleStructureTools.cc.

name()

std::string const& CASM::clex_SimpleStructureTools_impl::TransformDirective::name ( ) const

inline

Name of DoFType or transformation.

Definition at line 142 of file SimpleStructureTools.cc.

operator<()

bool CASM::clex_SimpleStructureTools_impl::TransformDirective::operator<

(

TransformDirective const &

_other

)

const

Compare with _other TransformDirective. Returns true if this TransformDirective has precedence.

Definition at line 200 of file SimpleStructureTools.cc.

transform()

void CASM::clex_SimpleStructureTools_impl::TransformDirective::transform	(	ConfigDoF const &	_config,
		xtal::BasicStructure const &	_reference,
		xtal::SimpleStructure &	_struc
	)		const

Applies transformation to _struc using information contained in _config.

Definition at line 228 of file SimpleStructureTools.cc.

Member Data Documentation

m_after

std::set<std::string> CASM::clex_SimpleStructureTools_impl::TransformDirective::m_after

private

Definition at line 165 of file SimpleStructureTools.cc.

m_before

std::set<std::string> CASM::clex_SimpleStructureTools_impl::TransformDirective::m_before

private

Definition at line 164 of file SimpleStructureTools.cc.

m_name

std::string CASM::clex_SimpleStructureTools_impl::TransformDirective::m_name

private

Definition at line 163 of file SimpleStructureTools.cc.

m_traits_ptr

DoFType::Traits const* CASM::clex_SimpleStructureTools_impl::TransformDirective::m_traits_ptr

private

Definition at line 167 of file SimpleStructureTools.cc.

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

• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/clex/SimpleStructureTools.cc