CASM::GlobalContinuousConfigDoFValues Class Reference

#include <ConfigDoFValues.hh>

Inheritance diagram for CASM::GlobalContinuousConfigDoFValues:

Detailed Description

Stores a vector with global continuous DoF values

Dof values are stored as values in the prim DoF basis. The conversion to the standard DoF basis values is:

this->standard_values() = info().basis() * this->values()

See ConfigDoF documentation for more details on how DoF values are stored.

The matrix size is fixed at construction and attempts to change it, other than via a complete copy, will cause an exception to be thrown.

Definition at line 190 of file ConfigDoFValues.hh.

Public Types
typedef Eigen::VectorXd	ValueType
typedef Eigen::VectorXd &	Reference
typedef Eigen::VectorXd const &	ConstReference
typedef ValueType::Scalar	SiteValueType
typedef int &	SiteReference
typedef const int &	ConstSiteReference

Public Member Functions
	GlobalContinuousConfigDoFValues (DoF::BasicTraits const &_traits, Index _n_sublat, Index _n_vol, DoFSetInfo const &_info)
Index	dim () const
	Global DoF vector representation dimension. More...
void	set_values (Eigen::Ref< const Eigen::MatrixXd > const &_values)
	Set global DoF values. More...
void	setZero ()
	Set DoF values to zero. More...
Eigen::VectorXd const &	values () const
	Const access global DoF values. More...
void	from_standard_values (Eigen::Ref< const Eigen::MatrixXd > const &_standard_values)
	Set global DoF values from standard DoF values. More...
Eigen::MatrixXd	standard_values () const
	Get global DoF values as standard DoF values. More...
DoFSetInfo const &	info () const
	DoFSetInfo provides the basis and symmetry representations for values More...
std::string const &	type_name () const
Index	n_vol () const
Index	n_sublat () const

Private Member Functions
void	_throw_if_invalid_size (Eigen::Ref< ValueType const > const &_values) const

Private Attributes
DoFSetInfo	m_info
ValueType	m_vals
DoFKey	m_type
Index	m_n_sublat
Index	m_n_vol

Member Typedef Documentation

ConstReference

typedef Eigen::VectorXd const& CASM::GlobalContinuousConfigDoFValues::ConstReference

Definition at line 194 of file ConfigDoFValues.hh.

ConstSiteReference

typedef const int& CASM::GlobalContinuousConfigDoFValues::ConstSiteReference

Definition at line 198 of file ConfigDoFValues.hh.

Reference

typedef Eigen::VectorXd& CASM::GlobalContinuousConfigDoFValues::Reference

Definition at line 193 of file ConfigDoFValues.hh.

SiteReference

typedef int& CASM::GlobalContinuousConfigDoFValues::SiteReference

Definition at line 197 of file ConfigDoFValues.hh.

SiteValueType

typedef ValueType::Scalar CASM::GlobalContinuousConfigDoFValues::SiteValueType

Definition at line 196 of file ConfigDoFValues.hh.

ValueType

typedef Eigen::VectorXd CASM::GlobalContinuousConfigDoFValues::ValueType

Definition at line 192 of file ConfigDoFValues.hh.

Constructor & Destructor Documentation

GlobalContinuousConfigDoFValues()

CASM::GlobalContinuousConfigDoFValues::GlobalContinuousConfigDoFValues	(	DoF::BasicTraits const &	_traits,
		Index	_n_sublat,
		Index	_n_vol,
		DoFSetInfo const &	_info
	)

Definition at line 238 of file ConfigDoFValues.cc.

Member Function Documentation

_throw_if_invalid_size()

void CASM::GlobalContinuousConfigDoFValues::_throw_if_invalid_size ( Eigen::Ref< ValueType const > const &  _values ) const

private

Definition at line 303 of file ConfigDoFValues.cc.

dim()

Index CASM::GlobalContinuousConfigDoFValues::dim

(

)

const

Global DoF vector representation dimension.

Definition at line 248 of file ConfigDoFValues.cc.

from_standard_values()

void CASM::GlobalContinuousConfigDoFValues::from_standard_values

(

Eigen::Ref< const Eigen::MatrixXd > const &

_standard_values

)

Set global DoF values from standard DoF values.

Set global DoF values from standard DoF values

Notes:

• Standard DoF values are those expressed according to the standard DoF basis, i.e. coordinates whose values corrspond to AnisoValTraits::standard_var_names().

Definition at line 274 of file ConfigDoFValues.cc.

info()

DoFSetInfo const & CASM::GlobalContinuousConfigDoFValues::info

(

)

const

DoFSetInfo provides the basis and symmetry representations for values

Definition at line 299 of file ConfigDoFValues.cc.

n_sublat()

Index CASM::ConfigDoFValues::n_sublat ( ) const

inherited

Definition at line 13 of file ConfigDoFValues.cc.

n_vol()

Index CASM::ConfigDoFValues::n_vol ( ) const

inherited

Definition at line 11 of file ConfigDoFValues.cc.

set_values()

void CASM::GlobalContinuousConfigDoFValues::set_values

(

Eigen::Ref< const Eigen::MatrixXd > const &

_values

)

Set global DoF values.

Set global DoF values

Exceptions

std::runtime_error

("Invalid size in GlobalContinuousConfigDoFValues...") if size is not valid

Definition at line 254 of file ConfigDoFValues.cc.

setZero()

void CASM::GlobalContinuousConfigDoFValues::setZero

(

)

Set DoF values to zero.

Definition at line 261 of file ConfigDoFValues.cc.

standard_values()

Eigen::MatrixXd CASM::GlobalContinuousConfigDoFValues::standard_values

(

)

const

Get global DoF values as standard DoF values.

Get global DoF values as standard DoF values

Notes:

• Standard DoF values are those expressed according to the standard DoF basis, i.e. coordinates whose values corrspond to AnisoValTraits::standard_var_names().

Definition at line 294 of file ConfigDoFValues.cc.

type_name()

std::string const & CASM::ConfigDoFValues::type_name ( ) const

inherited

Definition at line 9 of file ConfigDoFValues.cc.

values()

Eigen::VectorXd const & CASM::GlobalContinuousConfigDoFValues::values

(

)

const

Const access global DoF values.

Definition at line 264 of file ConfigDoFValues.cc.

Member Data Documentation

m_info

DoFSetInfo CASM::GlobalContinuousConfigDoFValues::m_info

private

Definition at line 229 of file ConfigDoFValues.hh.

m_n_sublat

Index CASM::ConfigDoFValues::m_n_sublat

privateinherited

Definition at line 21 of file ConfigDoFValues.hh.

m_n_vol

Index CASM::ConfigDoFValues::m_n_vol

privateinherited

Definition at line 22 of file ConfigDoFValues.hh.

m_type

DoFKey CASM::ConfigDoFValues::m_type

privateinherited

Definition at line 20 of file ConfigDoFValues.hh.

m_vals

ValueType CASM::GlobalContinuousConfigDoFValues::m_vals

private

Definition at line 230 of file ConfigDoFValues.hh.

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

• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/clex/ConfigDoFValues.hh
• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/clex/ConfigDoFValues.cc