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Unit.cpp
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Unit.cpp
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//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
#include "MantidKernel/Unit.h"
#include "MantidKernel/MultiThreaded.h"
#include "MantidKernel/PhysicalConstants.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidKernel/UnitLabelTypes.h"
#include <cmath>
#include <cfloat>
#include <limits>
namespace Mantid
{
namespace Kernel
{
/**
* Default constructor
* Gives the unit an empty UnitLabel
*/
Unit::Unit() :
initialized(false), l1(0), l2(0), twoTheta(0), emode(0),
efixed(0), delta(0)
{
}
/**
*/
Unit::~Unit()
{
}
/**
* @param other The unit that initializes this
*/
Unit::Unit(const Unit & other)
{
// call assignment operator for everything else
*this = other;
}
/**
* @param rhs A unit object whose state is copied to this
* @return A reference to this object
*/
Unit &Unit::operator=(const Unit &rhs)
{
if(this != &rhs)
{
initialized = rhs.initialized;
l1 = rhs.l1;
l2 = rhs.l2;
twoTheta = rhs.twoTheta;
emode = rhs.emode;
efixed = rhs.efixed;
delta = rhs.delta;
}
return *this;
}
/** Is conversion by constant multiplication possible?
*
* Look to see if conversion from the unit upon which this method is called requires
* only multiplication by a constant and not detector information (i.e. distance & angle),
* in which case doing the conversion via time-of-flight is not necessary.
* @param destination :: The unit to which conversion is sought
* @param factor :: Returns the constant by which to multiply the input unit (if a conversion is found)
* @param power :: Returns the power to which to raise the unput unit (if a conversion is found)
* @return True if a 'quick conversion' exists, false otherwise
*/
bool Unit::quickConversion(const Unit& destination, double& factor, double& power) const
{
// Just extract the unit's name and forward to other quickConversion method
return quickConversion(destination.unitID(),factor,power);
}
/** Is conversion by constant multiplication possible?
*
* Look to see if conversion from the unit upon which this method is called requires
* only multiplication by a constant and not detector information (i.e. distance & angle),
* in which case doing the conversion via time-of-flight is not necessary.
* @param destUnitName :: The class name of the unit to which conversion is sought
* @param factor :: Returns the constant by which to multiply the input unit (if a conversion is found)
* @param power :: Returns the power to which to raise the unput unit (if a conversion is found)
* @return True if a 'quick conversion' exists, false otherwise
*/
bool Unit::quickConversion(std::string destUnitName, double& factor, double& power) const
{
// From the global map, try to get the map holding the conversions for this unit
ConversionsMap::const_iterator it = s_conversionFactors.find(unitID());
// Return false if there are no conversions entered for this unit
if ( it == s_conversionFactors.end() ) return false;
// See if there's a conversion listed for the requested destination unit
std::transform(destUnitName.begin(),destUnitName.end(),destUnitName.begin(),toupper);
UnitConversions::const_iterator iter = it->second.find(destUnitName);
// If not, return false
if ( iter == it->second.end() ) return false;
// Conversion found - set the conversion factors
factor = iter->second.first;
power = iter->second.second;
return true;
}
// Initialise the static map holding the 'quick conversions'
Unit::ConversionsMap Unit::s_conversionFactors = Unit::ConversionsMap();
//---------------------------------------------------------------------------------------
/** Add a 'quick conversion' from the unit class on which this method is called.
* @param to :: The destination Unit for this conversion (use name returned by the unit's unitID() method)
* @param factor :: The constant by which to multiply the input unit
* @param power :: The power to which to raise the input unit (defaults to 1)
*/
void Unit::addConversion(std::string to, const double& factor, const double& power) const
{
std::transform(to.begin(), to.end(), to.begin(), toupper);
// If this happens in a parallel loop the static map needs protecting
PARALLEL_CRITICAL(Unit_addConversion)
{
// Add the conversion to the map (does nothing if it's already there)
s_conversionFactors[unitID()][to] = std::make_pair(factor,power);
}
}
//---------------------------------------------------------------------------------------
/** Removes all registered 'quick conversions' from the unit class on which this method is called.
*/
void Unit::clearConversions() const
{
s_conversionFactors.clear();
}
//---------------------------------------------------------------------------------------
/** Initialize the unit to perform conversion using singleToTof() and singleFromTof()
*
* @param _l1 :: The source-sample distance (in metres)
* @param _l2 :: The sample-detector distance (in metres)
* @param _twoTheta :: The scattering angle (in radians)
* @param _emode :: The energy mode (0=elastic, 1=direct geometry, 2=indirect geometry)
* @param _efixed :: Value of fixed energy: EI (emode=1) or EF (emode=2) (in meV)
* @param _delta :: Not currently used
*/
void Unit::initialize(const double& _l1, const double& _l2,
const double&_twoTheta, const int& _emode, const double& _efixed, const double& _delta)
{
l1 = _l1;
l2 = _l2;
twoTheta = _twoTheta;
emode = _emode;
efixed = _efixed;
delta = _delta;
initialized = true;
this->init();
}
//---------------------------------------------------------------------------------------
/** Perform the conversion to TOF on a vector of data */
void Unit::toTOF(std::vector<double>& xdata, std::vector<double>& ydata, const double& _l1, const double& _l2,
const double&_twoTheta, const int& _emode, const double& _efixed, const double& _delta)
{
UNUSED_ARG(ydata);
this->initialize(_l1,_l2, _twoTheta, _emode, _efixed, _delta);
size_t numX = xdata.size();
for (size_t i=0; i < numX; i++)
xdata[i] = this->singleToTOF(xdata[i]);
}
/** Convert a single value to TOF */
double Unit::convertSingleToTOF(const double xvalue, const double& l1, const double& l2,
const double& twoTheta, const int& emode, const double& efixed, const double& delta)
{
this->initialize(l1,l2, twoTheta, emode, efixed, delta);
return this->singleToTOF(xvalue);
}
//---------------------------------------------------------------------------------------
/** Perform the conversion to TOF on a vector of data */
void Unit::fromTOF(std::vector<double>& xdata, std::vector<double>& ydata, const double& _l1, const double& _l2,
const double&_twoTheta, const int& _emode, const double& _efixed, const double& _delta)
{
UNUSED_ARG(ydata);
this->initialize(_l1,_l2, _twoTheta, _emode, _efixed, _delta);
size_t numX = xdata.size();
for (size_t i=0; i < numX; i++)
xdata[i] = this->singleFromTOF(xdata[i]);
}
/** Convert a single value from TOF */
double Unit::convertSingleFromTOF(const double xvalue, const double& l1, const double& l2,
const double& twoTheta, const int& emode, const double& efixed, const double& delta)
{
this->initialize(l1,l2, twoTheta, emode, efixed, delta);
return this->singleFromTOF(xvalue);
}
std::pair<double,double> Unit::conversionRange()const
{
double u1=this->singleFromTOF(this->conversionTOFMin());
double u2=this->singleFromTOF(this->conversionTOFMax());
//
return std::pair<double,double>(std::min(u1,u2),std::max(u1,u2));
}
namespace Units
{
/* =============================================================================
* EMPTY
* =============================================================================
*/
DECLARE_UNIT(Empty)
const UnitLabel Empty::label() const
{
return Symbol::EmptyLabel;
}
void Empty::init()
{
}
double Empty::singleToTOF(const double x) const
{
UNUSED_ARG(x);
throw Kernel::Exception::NotImplementedError("Cannot convert unit "+this->unitID()+" to time of flight");
}
double Empty::singleFromTOF(const double tof) const
{
UNUSED_ARG(tof);
throw Kernel::Exception::NotImplementedError("Cannot convert to unit "+this->unitID()+" from time of flight");
}
Unit * Empty::clone() const
{
return new Empty(*this);
}
/**
* @return NaN as Label can not be obtained from TOF in any reasonable manner
*/
double Empty::conversionTOFMin() const
{
return std::numeric_limits<double>::quiet_NaN();
}
/**
* @return NaN as Label can not be obtained from TOF in any reasonable manner
*/
double Empty::conversionTOFMax() const
{
return std::numeric_limits<double>::quiet_NaN();
}
/* =============================================================================
* LABEL
* =============================================================================
*/
DECLARE_UNIT(Label)
const UnitLabel Label::label() const
{
return m_label;
}
/// Constructor
Label::Label()
:Empty(),m_caption("Quantity"), m_label(Symbol::EmptyLabel)
{
}
Label::Label(const std::string& caption, const std::string& label) : Empty(),
m_caption(), m_label(Symbol::EmptyLabel)
{
setLabel(caption, label);
}
/**
* Set a caption and a label
*/
void Label::setLabel(const std::string& cpt, const std::string& lbl)
{
m_caption = cpt;
m_label = UnitLabel(lbl);
}
Unit * Label::clone() const
{
return new Label(*this);
}
/* =============================================================================
* TIME OF FLIGHT
* =============================================================================
*/
DECLARE_UNIT(TOF)
const UnitLabel TOF::label() const
{
return Symbol::Microsecond;
}
TOF::TOF() : Unit()
{
}
void TOF::init()
{
}
double TOF::singleToTOF(const double x) const
{
// Nothing to do
return x;
}
double TOF::singleFromTOF(const double tof) const
{
// Nothing to do
return tof;
}
Unit * TOF::clone() const
{
return new TOF(*this);
}
double TOF::conversionTOFMin()const
{
return -DBL_MAX;
}
///@return DBL_MAX as ToF convetanble to TOF for in any time range
double TOF::conversionTOFMax()const
{
return DBL_MAX;
}
// ============================================================================================
/* WAVELENGTH
* ===================================================================================================
*
* This class makes use of the de Broglie relationship: lambda = h/p = h/mv, where v is (l1+l2)/tof.
*/
DECLARE_UNIT(Wavelength)
Wavelength::Wavelength() : Unit()
{
const double AngstromsSquared = 1e20;
const double factor = ( AngstromsSquared * PhysicalConstants::h * PhysicalConstants::h )
/ ( 2.0 * PhysicalConstants::NeutronMass * PhysicalConstants::meV );
addConversion("Energy",factor,-2.0);
addConversion("Energy_inWavenumber",factor*PhysicalConstants::meVtoWavenumber,-2.0);
addConversion("Momentum",2*M_PI,-1.0);
}
const UnitLabel Wavelength::label() const
{
return Symbol::Angstrom;
}
void Wavelength::init()
{
// ------------ Factors to convert TO TOF ---------------------
double ltot = 0.0;
double TOFisinMicroseconds = 1e6;
double toAngstroms = 1e10;
sfpTo = 0.0;
if ( emode == 1 )
{
ltot = l2;
sfpTo = ( sqrt( PhysicalConstants::NeutronMass / (2.0*PhysicalConstants::meV) ) * TOFisinMicroseconds * l1 ) / sqrt(efixed);
}
else if ( emode == 2 )
{
ltot = l1;
sfpTo = ( sqrt( PhysicalConstants::NeutronMass / (2.0*PhysicalConstants::meV) ) * TOFisinMicroseconds * l2 ) / sqrt(efixed);
}
else
{
ltot = l1 + l2;
}
factorTo = ( PhysicalConstants::NeutronMass * ( ltot ) ) / PhysicalConstants::h;
// Now adjustments for the scale of units used
factorTo *= TOFisinMicroseconds / toAngstroms;
// ------------ Factors to convert FROM TOF ---------------------
ltot = l1 + l2;
// Protect against divide by zero
if ( ltot == 0.0 ) ltot = DBL_MIN;
// Now apply the factor to the input data vector
do_sfpFrom = false;
if ( efixed != DBL_MIN )
{
if ( emode == 1 ) // Direct
{
ltot = l2;
sfpFrom = ( sqrt( PhysicalConstants::NeutronMass / (2.0*PhysicalConstants::meV) ) * TOFisinMicroseconds * l1 ) / sqrt(efixed);
do_sfpFrom = true;
}
else if ( emode == 2 ) // Indirect
{
ltot = l1;
sfpFrom = ( sqrt( PhysicalConstants::NeutronMass / (2.0*PhysicalConstants::meV) ) * TOFisinMicroseconds * l2 ) / sqrt(efixed);
do_sfpFrom = true;
}
else
{
ltot = l1 + l2;
}
}
else
{
ltot = l1 + l2;
}
// First the crux of the conversion
factorFrom = PhysicalConstants::h / ( PhysicalConstants::NeutronMass * ( ltot ) );
// Now adjustments for the scale of units used
factorFrom *= toAngstroms / TOFisinMicroseconds;
}
double Wavelength::singleToTOF(const double x) const
{
double tof = x * factorTo;
// If Direct or Indirect we want to correct TOF values..
if ( emode == 1 || emode == 2 )
tof += sfpTo;
return tof;
}
double Wavelength::singleFromTOF(const double tof) const
{
double x = tof;
if (do_sfpFrom)
x -= sfpFrom;
x *= factorFrom;
return x;
}
///@return Minimal time of flight, which can be reversively converted into wavelength
double Wavelength::conversionTOFMin()const
{
double min_tof(0);
if( emode == 1 || emode == 2 )
min_tof=sfpTo;
return min_tof;
}
///@return Maximal time of flight, which can be reversively converted into wavelength
double Wavelength::conversionTOFMax()const
{
double max_tof;
if(factorTo>1)
{
max_tof = (DBL_MAX-sfpTo)/factorTo;
}
else
{
max_tof = DBL_MAX-sfpTo/factorTo;
}
return max_tof;
}
Unit * Wavelength::clone() const
{
return new Wavelength(*this);
}
// ============================================================================================
/* ENERGY
* ===============================================================================================
*
* Conversion uses E = 1/2 mv^2, where v is (l1+l2)/tof.
*/
DECLARE_UNIT(Energy)
const UnitLabel Energy::label() const
{
return Symbol::MilliElectronVolts;
}
/// Constructor
Energy::Energy() : Unit()
{
addConversion("Energy_inWavenumber",PhysicalConstants::meVtoWavenumber);
const double toAngstroms = 1e10;
const double factor = toAngstroms * PhysicalConstants::h
/ sqrt( 2.0 * PhysicalConstants::NeutronMass * PhysicalConstants::meV);
addConversion("Wavelength",factor,-0.5);
addConversion("Momentum",2*M_PI/factor,0.5);
}
void Energy::init()
{
{
const double TOFinMicroseconds = 1e6;
factorTo = sqrt( PhysicalConstants::NeutronMass / (2.0*PhysicalConstants::meV) )
* ( l1 + l2 ) * TOFinMicroseconds;
}
{
const double TOFisinMicroseconds = 1e-12; // The input tof number gets squared so this is (10E-6)^2
const double ltot = l1 + l2;
factorFrom = ( (PhysicalConstants::NeutronMass / 2.0) * ( ltot * ltot ) )
/ (PhysicalConstants::meV * TOFisinMicroseconds);
}
}
double Energy::singleToTOF(const double x) const
{
double temp = x;
if (temp == 0.0) temp = DBL_MIN; // Protect against divide by zero
return factorTo / sqrt(temp);
}
///@return Minimal time of flight which can be reversibly converted into energy
double Energy::conversionTOFMin()const
{
return factorTo/sqrt(DBL_MAX);
}
double Energy::conversionTOFMax()const
{
return sqrt(DBL_MAX);
}
double Energy::singleFromTOF(const double tof) const
{
double temp = tof;
if (temp == 0.0) temp = DBL_MIN; // Protect against divide by zero
return factorFrom / (temp * temp);
}
Unit * Energy::clone() const
{
return new Energy(*this);
}
// ============================================================================================
/* ENERGY IN UNITS OF WAVENUMBER
* ============================================================================================
*
* Conversion uses E = 1/2 mv^2, where v is (l1+l2)/tof.
*/
DECLARE_UNIT(Energy_inWavenumber)
const UnitLabel Energy_inWavenumber::label() const
{
return Symbol::InverseCM;
}
/// Constructor
Energy_inWavenumber::Energy_inWavenumber() : Unit()
{
addConversion("Energy",1.0/PhysicalConstants::meVtoWavenumber);
const double toAngstroms = 1e10;
const double factor = toAngstroms * PhysicalConstants::h
/ sqrt( 2.0 * PhysicalConstants::NeutronMass * PhysicalConstants::meV / PhysicalConstants::meVtoWavenumber);
addConversion("Wavelength",factor,-0.5);
addConversion("Momentum",2*M_PI/factor,0.5);
}
void Energy_inWavenumber::init()
{
{
const double TOFinMicroseconds = 1e6;
factorTo = sqrt( PhysicalConstants::NeutronMass * PhysicalConstants::meVtoWavenumber / (2.0*PhysicalConstants::meV) )
* ( l1 + l2 ) * TOFinMicroseconds;
}
{
const double TOFisinMicroseconds = 1e-12; // The input tof number gets squared so this is (10E-6)^2
const double ltot = l1 + l2;
factorFrom = ( (PhysicalConstants::NeutronMass / 2.0) * ( ltot * ltot ) * PhysicalConstants::meVtoWavenumber )
/ (PhysicalConstants::meV * TOFisinMicroseconds);
}
}
double Energy_inWavenumber::singleToTOF(const double x) const
{
double temp = x;
if (temp <= DBL_MIN) temp = DBL_MIN; // Protect against divide by zero and define conversion range
return factorTo / sqrt(temp);
}
///@return Minimal time which can be reversibly converted into energy in wavenumner units
double Energy_inWavenumber::conversionTOFMin()const
{
return factorTo / sqrt(std::numeric_limits<double>::max());
}
double Energy_inWavenumber::conversionTOFMax()const
{
return factorTo / sqrt(std::numeric_limits<double>::max());
}
double Energy_inWavenumber::singleFromTOF(const double tof) const
{
double temp = tof;
if (temp == 0.0) temp = DBL_MIN; // Protect against divide by zero
return factorFrom / (temp * temp);
}
Unit * Energy_inWavenumber::clone() const
{
return new Energy_inWavenumber(*this);
}
// ==================================================================================================
/* D-SPACING
* ==================================================================================================
*
* Conversion uses Bragg's Law: 2d sin(theta) = n * lambda
*/
DECLARE_UNIT(dSpacing)
const UnitLabel dSpacing::label() const
{
return Symbol::Angstrom;
}
dSpacing::dSpacing() : Unit()
{
const double factor = 2.0 * M_PI;
addConversion("MomentumTransfer",factor,-1.0);
addConversion("QSquared",(factor*factor),-2.0);
}
void dSpacing::init()
{
// First the crux of the conversion
factorTo = ( 2.0 * PhysicalConstants::NeutronMass * sin(twoTheta/2.0) * ( l1 + l2 ) )
/ PhysicalConstants::h;
// Now adjustments for the scale of units used
const double TOFisinMicroseconds = 1e6;
const double toAngstroms = 1e10;
factorTo *= TOFisinMicroseconds / toAngstroms;
factorFrom = factorTo;
if (factorFrom == 0.0) factorFrom = DBL_MIN; // Protect against divide by zero
}
double dSpacing::singleToTOF(const double x) const
{
return x*factorTo;
}
double dSpacing::singleFromTOF(const double tof) const
{
return tof/factorFrom;
}
double dSpacing::conversionTOFMin()const
{
return 0;
}
double dSpacing::conversionTOFMax()const
{
return DBL_MAX/factorTo;
}
Unit * dSpacing::clone() const
{
return new dSpacing(*this);
}
// ================================================================================
/* MOMENTUM TRANSFER
* ================================================================================
*
* The relationship is Q = 2k sin (theta). where k is 2*pi/wavelength
*/
DECLARE_UNIT(MomentumTransfer)
const UnitLabel MomentumTransfer::label() const
{
return Symbol::InverseAngstrom;
}
MomentumTransfer::MomentumTransfer() : Unit()
{
addConversion("QSquared",1.0,2.0);
const double factor = 2.0 * M_PI;
addConversion("dSpacing",factor,-1.0);
}
void MomentumTransfer::init()
{
// First the crux of the conversion
factorTo = ( 4.0 * M_PI * PhysicalConstants::NeutronMass * (l1 + l2)
* sin(twoTheta/2.0) ) / PhysicalConstants::h;
// Now adjustments for the scale of units used
const double TOFisinMicroseconds = 1e6;
const double toAngstroms = 1e10;
factorTo *= TOFisinMicroseconds/ toAngstroms;
// First the crux of the conversion
factorFrom = ( 4.0 * M_PI * PhysicalConstants::NeutronMass * (l1 + l2)
* sin(twoTheta/2.0) ) / PhysicalConstants::h;
// Now adjustments for the scale of units used
factorFrom *= TOFisinMicroseconds/ toAngstroms;
}
double MomentumTransfer::singleToTOF(const double x) const
{
double temp = x;
if (temp == 0.0) temp = DBL_MIN; // Protect against divide by zero
return factorTo / temp;
}
//
double MomentumTransfer::singleFromTOF(const double tof) const
{
double temp = tof;
if (temp == 0.0) temp = DBL_MIN; // Protect against divide by zero
return factorFrom / temp;
}
double MomentumTransfer::conversionTOFMin()const
{
return factorFrom/DBL_MAX;
}
double MomentumTransfer::conversionTOFMax()const
{
return DBL_MAX;
}
Unit * MomentumTransfer::clone() const
{
return new MomentumTransfer(*this);
}
/* ===================================================================================================
* Q-SQUARED
* ===================================================================================================
*/
DECLARE_UNIT(QSquared)
const UnitLabel QSquared::label() const
{
return Symbol::InverseAngstromSq;
}
QSquared::QSquared() : Unit()
{
addConversion("MomentumTransfer",1.0,0.5);
const double factor = 2.0 * M_PI;
addConversion("dSpacing",factor,-0.5);
}
void QSquared::init()
{
// First the crux of the conversion
factorTo = ( 4.0 * M_PI * PhysicalConstants::NeutronMass * (l1 + l2)
* sin(twoTheta/2.0) ) / PhysicalConstants::h;
// Now adjustments for the scale of units used
const double TOFisinMicroseconds = 1e6;
const double toAngstroms = 1e10;
factorTo *= TOFisinMicroseconds/ toAngstroms;
// First the crux of the conversion
factorFrom = ( 4.0 * M_PI * PhysicalConstants::NeutronMass * (l1 + l2)
* sin(twoTheta/2.0) ) / PhysicalConstants::h;
// Now adjustments for the scale of units used
factorFrom *= TOFisinMicroseconds/ toAngstroms;
factorFrom = factorFrom * factorFrom;
}
double QSquared::singleToTOF(const double x) const
{
double temp = x;
if (temp == 0.0) temp = DBL_MIN; // Protect against divide by zero
return factorTo / sqrt(temp);
}
double QSquared::singleFromTOF(const double tof) const
{
double temp = tof;
if (temp == 0.0) temp = DBL_MIN; // Protect against divide by zero
return factorFrom / (temp*temp);
}
double QSquared::conversionTOFMin()const
{
if (factorTo > 0)
return factorTo/sqrt(DBL_MAX);
else
return -sqrt(DBL_MAX);
}
double QSquared::conversionTOFMax()const
{
if (factorTo > 0)
return sqrt(DBL_MAX);
else
return factorTo/sqrt(DBL_MAX);
}
Unit * QSquared::clone() const
{
return new QSquared(*this);
}
/* ==============================================================================
* Energy Transfer
* ==============================================================================
*/
DECLARE_UNIT(DeltaE)
const UnitLabel DeltaE::label() const
{
return Symbol::MilliElectronVolts;
}
void DeltaE::init()
{
// Efixed must be set to something
if (efixed == 0.0) throw std::invalid_argument("efixed must be set for energy transfer calculation");
const double TOFinMicroseconds = 1e6;
factorTo = sqrt( PhysicalConstants::NeutronMass / (2.0*PhysicalConstants::meV) ) * TOFinMicroseconds;
if (emode == 1)
{
// t_other is t1
t_other = ( factorTo * l1 ) / sqrt( efixed );
factorTo *= l2;
}
else if (emode == 2)
{
// t_other is t2
t_other = ( factorTo * l2 ) / sqrt( efixed );
factorTo *= l1;
}
else
{
throw std::invalid_argument("emode must be equal to 1 or 2 for energy transfer calculation");
}
//------------ from conversion ------------------
factorFrom = sqrt( PhysicalConstants::NeutronMass / (2.0*PhysicalConstants::meV) ) * TOFinMicroseconds;
if (emode == 1)
{
// t_otherFrom = t1
t_otherFrom = ( factorFrom * l1 ) / sqrt( efixed );
factorFrom = factorFrom * factorFrom * l2 * l2;
}
else if (emode == 2)
{
// t_otherFrom = t2
t_otherFrom = (factorFrom * l2) / sqrt( efixed );
factorFrom = factorFrom * factorFrom * l1 * l1;
}
// This will be changed for the wavenumber one
unitScaling = 1;
}
double DeltaE::singleToTOF(const double x) const
{
if (emode == 1)
{
const double e2 = efixed - x/unitScaling;
if (e2<=0.0) // This shouldn't ever happen (unless the efixed value is wrong)
return DeltaE::conversionTOFMax();
else
{
// this_t = t2;
const double this_t = factorTo / sqrt(e2);
return this_t + t_other; // (t1+t2);
}
}
else if (emode == 2)
{
const double e1 = efixed + x/unitScaling;
if (e1<=0.0) // This shouldn't ever happen (unless the efixed value is wrong)
return DeltaE::conversionTOFMax();
else
{
// this_t = t1;
const double this_t = factorTo / sqrt(e1);
return this_t + t_other; // (t1+t2);
}
}
else
{
return DeltaE::conversionTOFMax();
}
}
double DeltaE::singleFromTOF(const double tof) const
{
if (emode == 1)
{
// This is t2
const double this_t = tof - t_otherFrom;
if (this_t<=0.0)
return -DBL_MAX;
else
{
const double e2 = factorFrom / (this_t * this_t);
return (efixed - e2) * unitScaling;
}
}
else if (emode == 2)
{
// This is t1
const double this_t = tof - t_otherFrom;
if (this_t<=0.0)
return DBL_MAX;
else
{
const double e1 = factorFrom / (this_t * this_t);
return (e1 - efixed) * unitScaling;
}
}
else
return DBL_MAX;
}
double DeltaE::conversionTOFMin()const
{
double time(DBL_MAX); // impossible for elastic, this units do not work for elastic
if (emode == 1 || emode == 2)
time = t_otherFrom*(1+DBL_EPSILON);
return time;
}
double DeltaE::conversionTOFMax()const
{
// 0.1 here to provide at least two significant units to conversion range as this conversion range comes from 1-epsilon
if (efixed>1)
return t_otherFrom+sqrt(factorFrom/efixed)/sqrt(DBL_MIN);
else
return t_otherFrom+sqrt(factorFrom)/sqrt(DBL_MIN);
}
Unit * DeltaE::clone() const
{
return new DeltaE(*this);
}
DeltaE::DeltaE() : Unit()
{
addConversion("DeltaE_inWavenumber",PhysicalConstants::meVtoWavenumber,1.);
}
// =====================================================================================================
/* Energy Transfer in units of wavenumber
* =====================================================================================================
*
* This is identical to the above (Energy Transfer in meV) with one division by meVtoWavenumber.
*/
DECLARE_UNIT(DeltaE_inWavenumber)
const UnitLabel DeltaE_inWavenumber::label() const
{
return Symbol::InverseCM;
}
void DeltaE_inWavenumber::init()
{
DeltaE::init();
// Change the unit scaling factor
unitScaling = PhysicalConstants::meVtoWavenumber;
}
Unit * DeltaE_inWavenumber::clone() const
{
return new DeltaE_inWavenumber(*this);
}
DeltaE_inWavenumber::DeltaE_inWavenumber() : DeltaE()
{
addConversion("DeltaE",1/PhysicalConstants::meVtoWavenumber,1.);
}
double DeltaE_inWavenumber::conversionTOFMin()const
{