XYZ Class Reference

Inheritance diagram for XYZ:

Public Member Functions
	XYZ (core::Size j, core::Size i, core::Real d)
Public Member Functions inherited from ObjexxFCL::FArray2D< double >
	FArray2D ()
	Default Constructor. More...
	FArray2D (FArray2D const &a)
	Copy Constructor. More...
	FArray2D (FArray2D const &a, double const &v)
	Filled Copy Constructor. Use the dimensions and other data from the array, but fill with the value given. More...
	FArray2D (FArray2D< U > const &a)
	Copy Constructor Template. More...
	FArray2D (FArray2< U > const &a)
	Super Constructor Template. More...
	FArray2D (IR const &I1_a, IR const &I2_a)
	IndexRange Constructor. More...
	FArray2D (IR const &I1_a, IR const &I2_a, double const &t)
	IndexRange + Initializer Value Constructor. More...
	FArray2D (IR const &I1_a, IR const &I2_a, InitializerFunction const &function_a)
	IndexRange + Initializer Function Constructor. More...
	FArray2D (FArray2< U > const &a, IR const &I1_a, IR const &I2_a)
	Super + IndexRange Constructor Template. More...
	FArray2D (FArray2< U > const &a, IR const &I1_a, IR const &I2_a, double const &t)
	Super + IndexRange + Fill Value Constructor Template. More...
	~FArray2D () override
	Destructor. More...
FArray2D &	operator= (FArray2D const &a)
	Copy Assignment. More...
FArray2D &	operator= (Super const &a)
	Super Assignment. More...
FArray2D &	operator= (FArray2< U > const &a)
	Super Assignment Template. More...
FArray2D &	operator= (double const &t)
	= Value More...
FArray2D &	operator+= (FArray2< U > const &a)
	+= Array Template More...
FArray2D &	operator+= (double const &t)
	+= Value More...
FArray2D &	operator*= (FArray2< U > const &a)
	*= Array Template More...
FArray2D &	operator*= (double const &t)
	*= Value More...
FArray2D &	operator-= (FArray2< U > const &a)
	-= Array Template More...
FArray2D &	operator-= (double const &t)
	-= Value More...
FArray2D &	operator/= (double const &t)
	/= Value More...
double const &	operator() (int const i1, int const i2) const
	array( i1, i2 ) const More...
double &	operator() (int const i1, int const i2)
	array( i1, i2 ) More...
Section const	a (int const i1, int const i2) const
	Section Starting at array( i1, i2 ) More...
size_type	index (int const i1, int const i2) const
	Linear Index. More...
double const &	operator[] (size_type const i) const
	array[ i ] const: Linear Subscript More...
double &	operator[] (size_type const i)
	array[ i ]: Linear Subscript More...
bool	dimensions_initialized () const final
	Dimensions Initialized? More...
bool	contains (int const i1, int const i2) const override
	Contains Indexed Element? More...
bool	initializer_active () const override
	Initializer Active? More...
IR const &	I1 () const override
	IndexRange of Dimension 1. More...
int	l1 () const override
	Lower Index of Dimension 1. More...
int	u1 () const override
	Upper Index of Dimension 1. More...
IR const &	I2 () const override
	IndexRange of Dimension 2. More...
int	l2 () const override
	Lower Index of Dimension 2. More...
int	u2 () const override
	Upper Index of Dimension 2. More...
size_type	size2 () const override
	Size of Dimension 2. More...
FArray2D &	clear () override
	Clear. More...
FArray2D &	dimension (IR const &I1_a, IR const &I2_a)
	Dimension by IndexRanges. More...
FArray2D &	dimension (IR const &I1_a, IR const &I2_a, double const &t)
	Dimension by IndexRanges + Initializer Value. More...
FArray2D &	dimension (IR const &I1_a, IR const &I2_a, InitializerFunction const &function_a)
	Dimension by IndexRanges + Initializer Function. More...
FArray2D &	dimension (FArray2< U > const &a)
	Dimension by Array Template. More...
FArray2D &	dimension (FArray2< U > const &a, double const &t)
	Dimension by Array + Initializer Value Template. More...
FArray2D &	dimension (FArray2< U > const &a, InitializerFunction const &function_a)
	Dimension by Array + Initializer Function Template. More...
FArray2D &	redimension (IR const &I1_a, IR const &I2_a)
	Data-Preserving Redimension by IndexRanges. More...
FArray2D &	redimension (IR const &I1_a, IR const &I2_a, double const &t)
	Data-Preserving Redimension by IndexRanges + Fill Value. More...
FArray2D &	redimension (FArray2< U > const &a)
	Data-Preserving Redimension by Array Template. More...
FArray2D &	redimension (FArray2< U > const &a, double const &t)
	Data-Preserving Redimension by Array + Fill Value Template. More...
FArray2D &	initializer (double const &t)
	Set Initializer Value. More...
FArray2D &	initializer (InitializerFunction const &function_a)
	Set Initializer Function. More...
FArray2D &	initializer_clear ()
	Clear Initializer. More...
FArray2D &	initialize ()
	Initialize. More...
FArray2D &	swap (FArray2D &v)
	Swap. More...
void	update () override
	Update. More...
void	destructed (Subject const &) override
	Update for Destruction of a Subject. More...
void	shift_set (int const shift_a)
	Shift Setup. More...
Public Member Functions inherited from ObjexxFCL::FArray2< T >
	~FArray2 () override
	Destructor. More...
FArray2 &	operator= (FArray2 const &a)
	Copy Assignment. More...
template<typename U >
FArray2 &	operator= (FArray2< U > const &a)
	Copy Assignment Template. More...
template<typename U >
FArray2 &	operator+= (FArray2< U > const &a)
	+= Array Template More...
template<typename U >
FArray2 &	operator-= (FArray2< U > const &a)
	-= Array Template More...
template<typename U >
FArray2 &	operator*= (FArray2< U > const &a)
	*= Array Template More...
FArray2 &	operator= (T const &t)
	= Value More...
FArray2 &	operator+= (T const &t)
	+= Value More...
FArray2 &	operator-= (T const &t)
	-= Value More...
FArray2 &	operator*= (T const &t)
	*= Value More...
FArray2 &	operator/= (T const &t)
	/= Value More...
T const &	operator() (int const i1, int const i2) const
	array( i1, i2 ) const More...
T &	operator() (int const i1, int const i2)
	array( i1, i2 ) More...
Section const	a (int const i1, int const i2) const
	Const Section Starting at array( i1, i2 ) More...
Section	a (int const i1, int const i2)
	Section Starting at array( i1, i2 ) More...
size_type	index (int const i1, int const i2) const
	Linear Index. More...
template<typename U >
bool	equal_dimension (FArray2< U > const &a) const
	Equal Dimension? More...
bool	is_identity () const
	Is Identity? More...
bool	square () const
	Square? More...
bool	symmetric () const
	Symmetric? More...
size_type	size1 () const
	Size of Dimension 1. More...
FArray2 &	to_default () override
	Assign Default Value to all Elements. More...
FArray2 &	to_identity ()
	Set to the Identity Matrix. More...
FArray2 &	to_diag (T const &d)
	Set to Diagonal Matrix with Uniform Value. More...
FArray2 &	set_diagonal (T const &d)
	Set Diagonal of Matrix to a Uniform Value. More...
FArray2 &	transpose ()
	Transpose. More...
template<typename U >
FArray2 &	right_multiply_by (FArray2< U > const &a)
	Right Multiply By Array. More...
template<typename U >
FArray2 &	right_multiply_by_transpose (FArray2< U > const &a)
	Right Multiply By Transpose of Array. More...
virtual bool	dimensions_initialized () const=0
	Dimensions Initialized? More...
Public Member Functions inherited from ObjexxFCL::FArray< T >
virtual	~FArray ()
	Destructor. More...
FArray &	operator= (T const &t)
	= Value More...
FArray &	operator+= (T const &t)
	+= Value More...
FArray &	operator-= (T const &t)
	-= Value More...
FArray &	operator*= (T const &t)
	*= Value More...
FArray &	operator/= (T const &t)
	/= Value More...
T const &	operator[] (size_type const i) const
	array[ i ] const: Linear Subscript More...
T &	operator[] (size_type const i)
	array[ i ]: Linear Subscript More...
bool	active () const
	Active? More...
bool	array_size_bounded () const
	Array Size Bounded? More...
bool	array_size_unbounded () const
	Array Size Unbounded? More...
bool	size_bounded () const
	Active Array Size Bounded? More...
bool	size_unbounded () const
	Active Array Size Unbounded? More...
bool	owner () const
	Owner? More...
bool	proxy () const
	Proxy? More...
bool	is_default () const
	All Elements Default Valued? More...
bool	is_zero () const
	All Elements Zero? More...
bool	is_uniform () const
	Uniform Valued? More...
bool	is_uniform (T const &t) const
	Uniform Valued with Specified Value? More...
size_type	array_size () const
	Array Size. More...
size_type	size () const
	Active Array Size. More...
void	zero ()
	Assign Zero to all Elements. More...
void	to_zero ()
	Assign Zero to all Elements. More...
Public Member Functions inherited from ObjexxFCL::ObserverMulti
	~ObserverMulti () override
	Destructor. More...
void	insert_observer (Observer &observer) const override
	Insert an Observer. More...
void	remove_observer (Observer &observer) const override
	Remove an Observer. More...
bool	has_observer () const override
	Has At Least One Observer? More...
Observers const *	observers_p () const
	Observers Pointer. More...
Observers const &	observers () const
	Observers. More...
void	notify_destructed () const
	Notify Observers That This Subject is Being Destructed. More...
Public Member Functions inherited from ObjexxFCL::Observer
virtual	~Observer ()
	Destructor. More...
void	notify () const
	Notify Observers That This Subject Has Changed. More...
bool	acyclic (Observer &) const
	Acyclic After Adding an Observer of This Subject? More...
Public Member Functions inherited from utility::VirtualBase
	VirtualBase ()=default
	Default constructor. More...
virtual	~VirtualBase ()=default
	The virtual destructor is one of the main reasons for the VirtualBase class. More...
	VirtualBase (VirtualBase const &)=default
	VirtualBase (VirtualBase &&)=default
VirtualBase &	operator= (VirtualBase const &)=default
VirtualBase &	operator= (VirtualBase &&)=default

Additional Inherited Members
Public Types inherited from ObjexxFCL::FArray2D< double >
typedef Super::Base	Base
typedef Base::Section	Section
typedef Super::IR	SIR
typedef DynamicIndexRange	IR
typedef Base::value_type	value_type
typedef Base::reference	reference
typedef Base::const_reference	const_reference
typedef Base::pointer	pointer
typedef Base::const_pointer	const_pointer
typedef Base::size_type	size_type
typedef Base::difference_type	difference_type
typedef Base::Value	Value
typedef Base::Reference	Reference
typedef Base::ConstReference	ConstReference
typedef Base::Pointer	Pointer
typedef Base::ConstPointer	ConstPointer
typedef Base::Size	Size
typedef Base::Difference	Difference
typedef FArrayInitializer< double, ObjexxFCL::FArray2D >	Initializer
typedef Initializer::function_type	InitializerFunction
Public Types inherited from ObjexxFCL::FArray2< T >
typedef Super::Base	Base
typedef Base::Section	Section
typedef Base::IR	IR
typedef Base::value_type	value_type
typedef Base::reference	reference
typedef Base::const_reference	const_reference
typedef Base::pointer	pointer
typedef Base::const_pointer	const_pointer
typedef Base::size_type	size_type
typedef Base::difference_type	difference_type
typedef Base::Value	Value
typedef Base::Reference	Reference
typedef Base::ConstReference	ConstReference
typedef Base::Pointer	Pointer
typedef Base::ConstPointer	ConstPointer
typedef Base::Size	Size
typedef Base::Difference	Difference
Public Types inherited from ObjexxFCL::FArray< T >
typedef FArray< T >	Base
typedef FArrayTraits< T >	Traits
typedef FArraySection< T >	Section
typedef IndexRange	IR
typedef T	value_type
typedef T &	reference
typedef T const &	const_reference
typedef T *	pointer
typedef T const *	const_pointer
typedef std::size_t	size_type
typedef std::ptrdiff_t	difference_type
typedef T	Value
typedef T &	Reference
typedef T const &	ConstReference
typedef T *	Pointer
typedef T const *	ConstPointer
typedef std::size_t	Size
typedef std::ptrdiff_t	Difference
Public Types inherited from ObjexxFCL::ObserverMulti
typedef SetWrapper< Observer * >	Observers
Static Public Member Functions inherited from ObjexxFCL::FArray2D< double >
static FArray2D	diag (IR const &I_a, double const &d)
	Diagonal Matrix Named Constructor. More...
static FArray2D	identity (IR const &I_a)
	Identity Matrix Named Constructor. More...
static size_type	size_of (size_type const s1)
	Array Size Product of Specified Bounded Dimensional Sizes. More...
static size_type	size_of (size_type const s1, size_type const s2)
	Array Size Product of Specified Bounded Dimensional Sizes. More...
static size_type	size_of (size_type const s1, size_type const s2, size_type const s3)
	Array Size Product of Specified Bounded Dimensional Sizes. More...
static size_type	size_of (size_type const s1, size_type const s2, size_type const s3, size_type const s4)
	Array Size Product of Specified Bounded Dimensional Sizes. More...
static size_type	size_of (size_type const s1, size_type const s2, size_type const s3, size_type const s4, size_type const s5)
	Array Size Product of Specified Bounded Dimensional Sizes. More...
static size_type	size_of (size_type const s1, size_type const s2, size_type const s3, size_type const s4, size_type const s5, size_type const s6)
	Array Size Product of Specified Bounded Dimensional Sizes. More...
static size_type	size_of (IR const &I1)
	Array Size Product of Specified Bounded IndexRanges. More...
static size_type	size_of (IR const &I1, IR const &I2)
	Array Size Product of Specified Bounded IndexRanges. More...
static size_type	size_of (IR const &I1, IR const &I2, IR const &I3)
	Array Size Product of Specified Bounded IndexRanges. More...
static size_type	size_of (IR const &I1, IR const &I2, IR const &I3, IR const &I4)
	Array Size Product of Specified Bounded IndexRanges. More...
static size_type	size_of (IR const &I1, IR const &I2, IR const &I3, IR const &I4, IR const &I5)
	Array Size Product of Specified Bounded IndexRanges. More...
static size_type	size_of (IR const &I1, IR const &I2, IR const &I3, IR const &I4, IR const &I5, IR const &I6)
	Array Size Product of Specified Bounded IndexRanges. More...
Public Attributes inherited from ObjexxFCL::FArray2D< double >
double *	array_
	Pointer to data array. More...
size_type	array_size_
	Size of data array. More...
double *	sarray_
	Shifted pointer to data array. More...
int	shift_
	Array shift. More...
size_type	size_
	Size of active array. More...
Public Attributes inherited from ObjexxFCL::FArray2< T >
T *	array_
	Pointer to data array. More...
size_type	array_size_
	Size of data array. More...
T *	sarray_
	Shifted pointer to data array. More...
int	shift_
	Array shift. More...
Static Public Attributes inherited from ObjexxFCL::FArray2< T >
static size_type const	npos
	Unbounded "size". More...
Static Public Attributes inherited from ObjexxFCL::FArray< T >
static size_type const	npos = static_cast< size_type >( -1 )
	Unbounded "size". More...
static size_type const	max_size = npos - static_cast< size_type >( 1 )
	Max array size. More...
Protected Types inherited from ObjexxFCL::FArray2< T >
typedef internal::InitializerSentinel	InitializerSentinel
typedef internal::ProxySentinel	ProxySentinel
Protected Types inherited from ObjexxFCL::FArray< T >
typedef internal::InitializerSentinel	InitializerSentinel
typedef internal::ProxySentinel	ProxySentinel
Protected Member Functions inherited from ObjexxFCL::FArray2D< double >
void	dimension_assign (SIR const &I1_a, SIR const &I2_a) override
	Dimension by IndexRanges. More...
Protected Member Functions inherited from ObjexxFCL::FArray2< T >
	FArray2 ()
	Default Constructor. More...
	FArray2 (FArray2 const &a)
	Copy Constructor. More...
	FArray2 (FArray2 const &a, T const &v)
	Filled Copy Constructor - use the other data from the array, but fill with the given value. More...
template<typename U >
	FArray2 (FArray2< U > const &a)
	Copy Constructor Template. More...
	FArray2 (size_type const size_a)
	Size Constructor. More...
	FArray2 (size_type const size_a, InitializerSentinel const &initialized)
	Size + InitializerSentinel Constructor. More...
	FArray2 (ProxySentinel const &proxy)
	Default Proxy Constructor. More...
	FArray2 (FArray2 const &a, ProxySentinel const &proxy)
	Copy Proxy Constructor. More...
	FArray2 (FArray2 &a, ProxySentinel const &proxy)
	Non-Const Copy Proxy Constructor. More...
	FArray2 (Base const &a, ProxySentinel const &proxy)
	Base Proxy Constructor. More...
	FArray2 (Base &a, ProxySentinel const &proxy)
	Non-Const Base Proxy Constructor. More...
	FArray2 (Section const &s, ProxySentinel const &proxy)
	Section Proxy Constructor. More...
	FArray2 (Section &s, ProxySentinel const &proxy)
	Non-Const Section Proxy Constructor. More...
	FArray2 (T const &t, ProxySentinel const &proxy)
	Value Proxy Constructor. More...
	FArray2 (T &t, ProxySentinel const &proxy)
	Non-Const Value Proxy Constructor. More...
void	swap2DB (FArray2 &v)
	Swap. More...
Protected Member Functions inherited from ObjexxFCL::FArray< T >
	FArray ()
	Default Constructor. More...
	FArray (FArray const &a)
	Copy Constructor. More...
	FArray (FArray const &a, T const &v)
	Filled Copy Constructor - use the other data from the array, but fill with the given value. More...
template<typename U >
	FArray (FArray< U > const &a)
	Copy Constructor Template. More...
	FArray (size_type const size_a)
	Size Constructor. More...
	FArray (size_type const size_a, InitializerSentinel const &)
	Size + InitializerSentinel Constructor. More...
	FArray (ProxySentinel const &)
	Default Proxy Constructor. More...
	FArray (FArray const &a, ProxySentinel const &)
	Array Proxy Constructor. More...
	FArray (FArray &a, ProxySentinel const &)
	Non-Const Array Proxy Constructor. More...
	FArray (Section const &s, ProxySentinel const &)
	Section Proxy Constructor. More...
	FArray (Section &s, ProxySentinel const &)
	Non-Const Section Proxy Constructor. More...
	FArray (T const &t, ProxySentinel const &)
	Value Proxy Constructor. More...
	FArray (T &t, ProxySentinel const &)
	Non-Const Value Proxy Constructor. More...
FArray &	operator= (FArray const &a)
	Copy Assignment. More...
template<typename U >
void	operator= (FArray< U > const &a)
	Copy Assignment Template. More...
template<typename U >
void	operator+= (FArray< U > const &a)
	+= Array Template More...
template<typename U >
void	operator-= (FArray< U > const &a)
	-= Array Template More...
void	shift_set (int const shift_a)
	Shift Setup. More...
void	size_set (size_type const size_a)
	Active Array Size Setup. More...
FArray &	resize (size_type const size_a)
	Resize a Real Array. More...
void	attach (FArray const &a)
	Attach Proxy/Argument Array to Const Array of Same Rank. More...
void	attach (FArray &a)
	Attach Proxy/Argument Array to Array of Same Rank. More...
void	attach (FArray const &a, int const shift_a)
	Attach Proxy/Argument Array to Const Array. More...
void	attach (FArray &a, int const shift_a)
	Attach Proxy/Argument Array to Array. More...
void	attach (Section const &s, int const shift_a)
	Attach Proxy/Argument Array to Const Section. More...
void	attach (Section &s, int const shift_a)
	Attach Proxy/Argument Array to Section. More...
void	attach (T const &t, int const shift_a)
	Attach Proxy/Argument Array to Const Value. More...
void	attach (T &t, int const shift_a)
	Attach Proxy/Argument Array to Value. More...
void	detach ()
	Detach Proxy/Argument Array. More...
void	update_to (FArray const &a)
	Update Proxy Array Attachment to Const Array. More...
void	update_to (FArray &a)
	Update Proxy Array Attachment to Array. More...
void	swapB (FArray &v)
	Swap. More...
Protected Member Functions inherited from ObjexxFCL::ObserverMulti
	ObserverMulti ()
	Default Constructor. More...
	ObserverMulti (ObserverMulti const &)
	Copy Constructor. More...
ObserverMulti &	operator= (ObserverMulti const &)
	Copy Assignment. More...
Protected Member Functions inherited from ObjexxFCL::Observer
	Observer ()
	Default Constructor. More...
	Observer (Observer const &)
	Copy Constructor. More...
Observer &	operator= (Observer const &)
	Copy Assignment. More...
Static Protected Member Functions inherited from ObjexxFCL::FArray< T >
static size_type	size_of (size_type const s1)
	Array Size Product of Specified Bounded Dimensional Sizes. More...
static size_type	size_of (size_type const s1, size_type const s2)
	Array Size Product of Specified Bounded Dimensional Sizes. More...
static size_type	size_of (size_type const s1, size_type const s2, size_type const s3)
	Array Size Product of Specified Bounded Dimensional Sizes. More...
static size_type	size_of (size_type const s1, size_type const s2, size_type const s3, size_type const s4)
	Array Size Product of Specified Bounded Dimensional Sizes. More...
static size_type	size_of (size_type const s1, size_type const s2, size_type const s3, size_type const s4, size_type const s5)
	Array Size Product of Specified Bounded Dimensional Sizes. More...
static size_type	size_of (size_type const s1, size_type const s2, size_type const s3, size_type const s4, size_type const s5, size_type const s6)
	Array Size Product of Specified Bounded Dimensional Sizes. More...
static size_type	size_of (IR const &I1)
	Array Size Product of Specified Bounded IndexRanges. More...
static size_type	size_of (IR const &I1, IR const &I2)
	Array Size Product of Specified Bounded IndexRanges. More...
static size_type	size_of (IR const &I1, IR const &I2, IR const &I3)
	Array Size Product of Specified Bounded IndexRanges. More...
static size_type	size_of (IR const &I1, IR const &I2, IR const &I3, IR const &I4)
	Array Size Product of Specified Bounded IndexRanges. More...
static size_type	size_of (IR const &I1, IR const &I2, IR const &I3, IR const &I4, IR const &I5)
	Array Size Product of Specified Bounded IndexRanges. More...
static size_type	size_of (IR const &I1, IR const &I2, IR const &I3, IR const &I4, IR const &I5, IR const &I6)
	Array Size Product of Specified Bounded IndexRanges. More...
Protected Attributes inherited from ObjexxFCL::FArray2< T >
size_type	s1_
	Dimension 1 size. More...
Protected Attributes inherited from ObjexxFCL::FArray< T >
size_type	array_size_
	Size of data array. More...
T *	array_
	Pointer to data array. More...
size_type	size_
	Size of active array. More...
bool const	owner_
	Owner of data array? More...
int	shift_
	Array shift. More...
T *	sarray_
	Shifted pointer to data array. More...

Constructor & Destructor Documentation

XYZ()

XYZ::XYZ ( core::Size  j, core::Size  i, core::Real  d  )

inline

---

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

• src/apps/pilot/dgront/experiments/AllCrmsd.cc