This template class is used to represent three-dimensional physical vectors. More...

Public Attributes
Quantity	v [3]
	The components of the physical vector.

Static Public Attributes
static const SBDTypePhysicalVector3< Quantity >	zero
	The zero physical vector.

Constructors
	SBDTypePhysicalVector3 ()
	Constructs the physical vector [ 0 0 0 ].

	SBDTypePhysicalVector3 (const Quantity &x)
	Constructs the physical vector [ `x` `x` `x` ].

	SBDTypePhysicalVector3 (const Quantity &x, const Quantity &y, const Quantity &z)
	Constructs the physical vector [ `x` `y` `z` ].

	SBDTypePhysicalVector3 (Quantity u[3])
	Constructs the physical vector [ `v`[0] `v`[1] `v`[2] ].

	SBDTypePhysicalVector3 (double x)
	Constructs a dimensionless physical vector with all components set to `x`.

	SBDTypePhysicalVector3 (double x, double y, double z)
	Constructs the dimensionless physical vector [ `x` `y` `z` ].

	SBDTypePhysicalVector3 (double u[3])
	Constructs the dimensionless physical vector [ `v`[0] `v`[1] `v`[2] ].

Serialization
void	serialize (SBCSerializer *serializer, const SBVersionNumber &sdkVersionNumber=SB_SDK_VERSION_NUMBER) const
	Serializes the physical vector using the provided `serializer`.

void	unserialize (SBCSerializer *serializer, const SBVersionNumber &sdkVersionNumber=SB_SDK_VERSION_NUMBER)
	Unserializes the physical vector using the provided `serializer`.

Accessors
SBDTypePhysicalVector3< SBQuantity::dimensionless >	getValue () const
	Returns a dimensionless physical vector whose components are equal to those of this physical vector.

void	getValue (double *array) const
	Stores the components as doubles in `array`[0], `array`[1] and `array`[2].

void	getValue (float *array) const
	Stores the components as floats in `array`[0], `array`[1] and `array`[2].

void	setValue (const SBDTypePhysicalVector3< SBQuantity::dimensionless > &u)
	Sets the components of this physical vector equal to those of the dimensionless physical vector `u`.

Operators
template<typename QuantityB >
SBQuantityProduct2< Quantity, QuantityB >::Type	operator\| (const SBDTypePhysicalVector3< QuantityB > &u) const
	Returns the dot product of this physical vector with physical vector `u`.

template<typename QuantityB >
SBDTypePhysicalVector3< SBQuantityType< typename SBDQuantityUnitMultiplication< typename Quantity::UnitType, typename QuantityB::UnitType >::UnitType > >	operator^ (const SBDTypePhysicalVector3< QuantityB > &u) const
	Returns the cross product of this physical vector with physical vector `u`.

SBDTypePhysicalVector3< Quantity >	operator+ (const SBDTypePhysicalVector3< Quantity > &u) const
	Returns the sum of this physical vector with physical vector `u`.

SBDTypePhysicalVector3< Quantity >	operator- (const SBDTypePhysicalVector3< Quantity > &u) const
	Returns the difference of this physical vector with physical vector `u`.

SBDTypePhysicalVector3< Quantity >	operator* (double d) const
	Returns the product of this physical vector with double `d`.

template<typename QuantityB >
SBDTypePhysicalVector3< SBQuantityType< typename SBDQuantityUnitMultiplication< typename Quantity::UnitType, typename QuantityB::UnitType >::UnitType > >	operator* (QuantityB d) const
	Returns the product of this physical vector with physical quantity `d`.

template<typename QuantityB >
SBDTypePhysicalVector3< SBQuantityType< typename SBDQuantityUnitMultiplication< typename Quantity::UnitType, typename QuantityB::UnitType >::UnitType > >	operator* (const SBDTypePhysicalVector3< QuantityB > &u) const
	Returns the component-wise product of this physical vector with physical vector `u`. More...

template<typename QuantityB >
SBDTypePhysicalVector3< Quantity > &	operator*= (QuantityB d)
	Multiplies this physical vector with quantity `d`.

SBDTypePhysicalVector3< Quantity >	operator/ (double d) const
	Returns the division of this physical vector by double `d`.

template<typename QuantityB >
SBDTypePhysicalVector3< SBQuantityType< typename SBDQuantityUnitDivision< typename Quantity::UnitType, typename QuantityB::UnitType >::UnitType > >	operator/ (QuantityB d) const
	Returns the division of this physical vector by physical quantity `d`.

template<typename QuantityB >
SBDTypePhysicalVector3< SBQuantityType< typename SBDQuantityUnitDivision< typename Quantity::UnitType, typename QuantityB::UnitType >::UnitType > >	operator/ (const SBDTypePhysicalVector3< QuantityB > &u) const
	Returns the component-wise division of this physical vector by physical vector `u`. More...

template<typename QuantityB >
SBDTypePhysicalVector3< Quantity > &	operator/= (QuantityB d)
	Divides this physical vector by physical quantity `d`.

SBDTypePhysicalVector3< Quantity >	operator- () const
	Returns the opposite of this physical vector.

SBDTypePhysicalVector3< Quantity > &	operator+= (const SBDTypePhysicalVector3< Quantity > &u)
	Adds physical vector `u` to this physical vector.

SBDTypePhysicalVector3< Quantity > &	operator-= (const SBDTypePhysicalVector3< Quantity > &u)
	Subtracts physical vector `u` from this physical vector.

template<typename QuantityB >
	operator SBDTypePhysicalVector3< QuantityB > () const
	Converts this physical vector to a physical vector with units `QuantityB`.

template<typename QuantityB >
bool	operator== (const SBDTypePhysicalVector3< QuantityB > &u) const
	Returns true if this physical vector is equal to physical vector `u` (component-wise)

template<typename QuantityB >
bool	operator!= (const SBDTypePhysicalVector3< QuantityB > &u) const
	Returns true if this physical vector is different from physical vector `u` (component-wise)

template<typename QuantityB >
bool	operator< (const SBDTypePhysicalVector3< QuantityB > &u) const
	Returns true if this physical vector is smaller than physical vector `u` (lexicographic comparison)

template<typename QuantityB >
bool	operator> (const SBDTypePhysicalVector3< QuantityB > &u) const
	Returns true if this physical vector is larger than physical vector `u` (lexicographic comparison)

template<typename QuantityB >
bool	operator<= (const SBDTypePhysicalVector3< QuantityB > &u) const
	Returns true if this physical vector is smaller or equal than physical vector `u` (lexicographic comparison)

template<typename QuantityB >
bool	operator>= (const SBDTypePhysicalVector3< QuantityB > &u) const
	Returns true if this physical vector is larger or equal than physical vector `u` (lexicographic comparison)

Quantity &	operator[] (int index)
	Returns a reference to component `index`.

const Quantity &	operator[] (int index) const
	Returns a reference to component `index` (const version)

Useful functions
void	setZero ()
	Sets all components to zero.

Quantity	norm () const
	Returns the norm of this physical vector.

SBQuantityType< typename SBDQuantityUnitMultiplication< typename Quantity::UnitType, typename Quantity::UnitType >::UnitType >	norm2 () const
	Returns the squared norm of this physical vector.

void	print () const
	Prints this physical vector.

SBDTypePhysicalVector3< SBQuantity::dimensionless >	normalizedVersion () const
	Returns the normalized version of this physical vector.

SBDTypePhysicalVector3< Quantity >	normalizedVersionWithUnits () const
	Returns the normalized version of this physical vector, but with preserved units.

void	normalizeWithUnits ()
	Normalizes this physical vector while preserving units.

void	normalize ()
	Normalizes this dimensionless physical vector.

template<typename QuantityLower , typename QuantityUpper >
void	updateMinMax (SBDTypePhysicalVector3< QuantityLower > &lower, SBDTypePhysicalVector3< QuantityUpper > &upper) const
	Updates the `lower` and `upper` vector bounds with this physical vector. More...

void	swap (unsigned int i, unsigned j)
	Swaps components `i` and `j` of this physical vector.

Detailed Description

template<typename Quantity>
class SBDTypePhysicalVector3< Quantity >

Template Parameters

Quantity The quantity type of the physical vector

This template class represents three-dimensional physical vectors, i.e. vectors whose components are physical quantities, and thus use SAMSON's unit system. In a physical vector (e.g. a position vector or a force vector), the three components have the same unit, and the SBDTypePhysicalVector3 template class is parameterized by only one type: Quantity.

Most of the time, developers of SAMSON Elements do not have to use this template, but may directly use some predefined types, e.g. SBVector3 (dimensionless three-dimensional vector), SBPosition3 (three-dimensional vectors with length dimensions), etc.

For example, if atomPointer is a pointer to an atom, then the atom's position is a SBPosition3 physical vector:

// translate the atom by 1.0 angstrom in the x direction
SBPosition3 p=atomPointer->getPosition();
p.v[0]+=SBQuantity::angstrom(1.0);
atomPointer->setPosition(p);

Short name: SBPhysicalVector3

See also: SAMSON's unit system

Member Function Documentation

◆ operator*()

template<typename Quantity>

template<typename QuantityB >

SBDTypePhysicalVector3< SBQuantityType<typename SBDQuantityUnitMultiplication< typename Quantity::UnitType, typename QuantityB::UnitType >::UnitType > > SBDTypePhysicalVector3< Quantity >::operator* ( const SBDTypePhysicalVector3< QuantityB > & u ) const

inline

This operator returns the component-wise product of this physical vector with physical vector u, i.e. a physical vector in which each component is the product of the corresponding components in this physical vector and physical vector u.

◆ operator/()

template<typename Quantity>

template<typename QuantityB >

SBDTypePhysicalVector3< SBQuantityType<typename SBDQuantityUnitDivision< typename Quantity::UnitType, typename QuantityB::UnitType >::UnitType > > SBDTypePhysicalVector3< Quantity >::operator/ ( const SBDTypePhysicalVector3< QuantityB > & u ) const

inline

This operator returns the component-wise division of this physical vector by physical vector u, i.e. a physical vector in which each component is the division of the corresponding components in this physical vector and physical vector u.

◆ updateMinMax()

template<typename Quantity>

template<typename QuantityLower , typename QuantityUpper >

void SBDTypePhysicalVector3< Quantity >::updateMinMax	(	SBDTypePhysicalVector3< QuantityLower > &	lower,
		SBDTypePhysicalVector3< QuantityUpper > &	upper
	)		const

inline

Parameters

lower	The lower bound
upper	The upper bound

If necessary, this function updates the lower and upper bounds to ensure that they contain this physical vector.

Public Attributes

Static Public Attributes

Constructors

Serialization

Accessors

Operators

Useful functions

Detailed Description

template<typename Quantity> class SBDTypePhysicalVector3< Quantity >

Member Function Documentation

◆ operator*()

◆ operator/()

◆ updateMinMax()

template<typename Quantity>
class SBDTypePhysicalVector3< Quantity >