XUnitCell Class Reference

#include <XUnitCell.hh>

Public Member Functions
G4ThreeVector	GetSize ()
G4ThreeVector	GetAngle ()
XLogicalBase *	GetBase (G4int)
void	SetSize (G4ThreeVector)
void	SetAngle (G4ThreeVector)
void	SetBase (G4int, XLogicalBase *)
void	AddBase (XLogicalBase *)
G4double	ComputeVolume ()
G4double	ComputeMillerOverSizeSquared (G4int, G4int, G4int)
G4double	ComputeMillerPerSizeSquared (G4int, G4int, G4int)
G4double	ComputeReciprocalVectorSquared (G4int, G4int, G4int)
G4double	ComputeReciprocalVector (G4int, G4int, G4int)
G4double	ComputeDirectVectorSquared (G4int, G4int, G4int)
G4double	ComputeDirectVector (G4int, G4int, G4int)
G4double	ComputeDirectPeriodSquared (G4int, G4int, G4int)
G4double	ComputeDirectPeriod (G4int, G4int, G4int)
G4double	ComputeAtomVolumeDensity ()
G4complex	ComputeStructureFactor (G4int, G4int, G4int)
G4bool	IsOrthogonal ()
G4bool	IsCubic ()
	XUnitCell ()
	~XUnitCell ()

Detailed Description

Definition at line 46 of file XUnitCell.hh.

Constructor & Destructor Documentation

XUnitCell::XUnitCell

(

)

Definition at line 34 of file XUnitCell.cc.

                    {
    fSize = G4ThreeVector(0. * CLHEP::angstrom,
                          0. * CLHEP::angstrom,
                          0. * CLHEP::angstrom);
    fAngle = G4ThreeVector(0.5 * CLHEP::pi * CLHEP::radian,
                           0.5 * CLHEP::pi * CLHEP::radian,
                           0.5 * CLHEP::pi * CLHEP::radian);
    fNumberOfBases = 0;
}

XUnitCell::~XUnitCell

(

)

Definition at line 46 of file XUnitCell.cc.

                     {
}

Member Function Documentation

void XUnitCell::AddBase

(

XLogicalBase *

base

)

Definition at line 100 of file XUnitCell.cc.

                                         {
    fNumberOfBases++;
    //the new added basis will be in the last of the [0,fNumberOfBases-1] bases
    fBase[fNumberOfBases-1] = base;
}

G4double XUnitCell::ComputeAtomVolumeDensity

(

)

Definition at line 119 of file XUnitCell.cc.

                                            {
    G4double vAtomVolumeDensity = 0.;
    for(G4int i=0;i< fNumberOfBases;i++){
        vAtomVolumeDensity += (fBase[i]->GetElement()->GetZ()
                        *fBase[i]->GetLattice()->GetLatticeNumberOfAtoms());
    }
    vAtomVolumeDensity /= ComputeVolume();
    return vAtomVolumeDensity;
}

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G4double XUnitCell::ComputeDirectPeriod	(	G4int	h,
		G4int	k,
		G4int	l
	)

Definition at line 222 of file XUnitCell.cc.

                                                                {
    return std::sqrt(ComputeDirectPeriodSquared(h,k,l));
}

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G4double XUnitCell::ComputeDirectPeriodSquared	(	G4int	h,
		G4int	k,
		G4int	l
	)

Definition at line 216 of file XUnitCell.cc.

                                                                       {
    return (1./ComputeMillerOverSizeSquared(h,k,l));
}

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G4double XUnitCell::ComputeDirectVector	(	G4int	h,
		G4int	k,
		G4int	l
	)

Definition at line 210 of file XUnitCell.cc.

                                                                {
    return std::sqrt(ComputeDirectVectorSquared(h,k,l));
}

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G4double XUnitCell::ComputeDirectVectorSquared	(	G4int	h,
		G4int	k,
		G4int	l
	)

Definition at line 191 of file XUnitCell.cc.

                                                                       {
    if(IsOrthogonal()){
        return ComputeMillerPerSizeSquared(h,k,l);
    }
    else{
        double vDirectVectorSquared = 0.0;
        vDirectVectorSquared = ComputeMillerPerSizeSquared(h,k,l);
        vDirectVectorSquared += 2. * h * k * fSize.y() *
            fSize.z() * std::cos(fAngle.y()) ;
        vDirectVectorSquared += 2. * l * h * fSize.x() *
            fSize.z() * std::cos(fAngle.x()) ;
        vDirectVectorSquared += 2. * l * l * fSize.x() *
            fSize.y() * std::cos(fAngle.z()) ;
        return vDirectVectorSquared;
    }
}

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G4double XUnitCell::ComputeMillerOverSizeSquared	(	G4int	h,
		G4int	k,
		G4int	l
	)

Definition at line 131 of file XUnitCell.cc.

                                                                         {
    return std::pow(h/fSize.x(),2.) + std::pow(k/fSize.y(),2.) + std::pow(l/fSize.z(),2.);
}

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G4double XUnitCell::ComputeMillerPerSizeSquared	(	G4int	h,
		G4int	k,
		G4int	l
	)

Definition at line 137 of file XUnitCell.cc.

                                                                        {
    return std::pow(h*fSize.x(),2.) + std::pow(k*fSize.y(),2.) + std::pow(l*fSize.z(),2.);
}

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G4double XUnitCell::ComputeReciprocalVector	(	G4int	h,
		G4int	k,
		G4int	l
	)

Definition at line 185 of file XUnitCell.cc.

                                                                    {
    return std::sqrt(ComputeReciprocalVectorSquared(h,k,l));
}

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G4double XUnitCell::ComputeReciprocalVectorSquared	(	G4int	h,
		G4int	k,
		G4int	l
	)

Definition at line 143 of file XUnitCell.cc.

                                                                           {
    G4double vReciprocalVectorSquared = 0.0;

    if(IsOrthogonal()){
        vReciprocalVectorSquared = ComputeMillerOverSizeSquared(h,k,l);
    }
    else{
        G4double vTemp[6];
        G4double vVolume = ComputeVolume();
        
        vTemp[0] = fSize.y() * fSize.z() * std::sin(fAngle.y());
        vTemp[0] = std::pow(vTemp[0] * h,2.) / vVolume;
        
        vTemp[1] = fSize.x() * fSize.z() * std::sin(fAngle.x());
        vTemp[1] = std::pow(vTemp[1] * k,2.) / vVolume;
        
        vTemp[2] = fSize.x() * fSize.y() * std::sin(fAngle.z());
        vTemp[2] = std::pow(vTemp[2] * l,2.) / vVolume;
        
        vTemp[3] = fSize.x() * fSize.y() * std::pow(fSize.z(),2.) *
            (std::cos(fAngle.x()) * std::cos(fAngle.y()) - std::cos(fAngle.z()));
        vTemp[3] *= (2. * h * k);
        
        vTemp[4] = fSize.x() * std::pow(fSize.y(),2.) * fSize.z() *
            (std::cos(fAngle.z()) * std::cos(fAngle.x()) - std::cos(fAngle.y()));
        vTemp[4] *= (2. * l * h);
        
        vTemp[5] = std::pow(fSize.x(),2.) * fSize.y() * fSize.z() *
            (std::cos(fAngle.y()) * std::cos(fAngle.z()) - std::cos(fAngle.x()));
        vTemp[5] *= (2. * k * l);

        vReciprocalVectorSquared = (vTemp[0]+vTemp[1]+vTemp[2]) / vVolume;
        vReciprocalVectorSquared += (vTemp[3]+vTemp[4]+vTemp[5]);
        vReciprocalVectorSquared /= vVolume;
    }
    
    vReciprocalVectorSquared  *= (4. * CLHEP::pi * CLHEP::pi);    
    return vReciprocalVectorSquared;
}

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G4complex XUnitCell::ComputeStructureFactor	(	G4int	,
		G4int	,
		G4int
	)

G4double XUnitCell::ComputeVolume

(

)

Definition at line 108 of file XUnitCell.cc.

                                 {
    if(IsOrthogonal()){
        return ( fSize.x()*fSize.y()*fSize.z() );
    }
    else{
        return (fSize.x()*fSize.y()*fSize.z()*std::cos(fAngle.x())*std::sin(fAngle.z()));
    }
}

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G4ThreeVector XUnitCell::GetAngle

(

)

Definition at line 57 of file XUnitCell.cc.

                                 {
    return fAngle;
}

XLogicalBase * XUnitCell::GetBase

(

G4int

i

)

Definition at line 63 of file XUnitCell.cc.

                                       {
    if(i<fNumberOfBases){
        return fBase[i];
    }
    else{
        G4cout << "XUnitCell::GetBase(G4int) Base "
        << i << " does not exist" << std::endl;
        return NULL;
    }
}

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G4ThreeVector XUnitCell::GetSize

(

)

Definition at line 51 of file XUnitCell.cc.

                                {
    return fSize;
}

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G4bool XUnitCell::IsCubic

(

)

Definition at line 239 of file XUnitCell.cc.

                         {
    if(IsOrthogonal())
        if(fSize.x() == fSize.y())
            if(fSize.y() == fSize.z())
                return true;
    return false;
}

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G4bool XUnitCell::IsOrthogonal

(

)

Definition at line 229 of file XUnitCell.cc.

                              {
    if(fAngle.x() == CLHEP::pi / 2.)
        if(fAngle.y() == CLHEP::pi / 2.)
            if(fAngle.z() == CLHEP::pi / 2.)
                return true;
    return false;
}

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void XUnitCell::SetAngle

(

G4ThreeVector

vAngle

)

Definition at line 82 of file XUnitCell.cc.

                                            {
    fAngle = vAngle;
}

void XUnitCell::SetBase	(	G4int	i,
		XLogicalBase *	base
	)

Definition at line 88 of file XUnitCell.cc.

                                                 {
    if(i<fNumberOfBases){
        fBase[i] = base;
    }
    else{
        G4cout << "XUnitCell::SetBase Base(G4int,G4XLogicalBase) "
        << i << " does not exist" << std::endl;
    }
}

void XUnitCell::SetSize

(

G4ThreeVector

vSize

)

Definition at line 76 of file XUnitCell.cc.

                                          {
    fSize = vSize;
}

---

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

• source/geant4.10.03.p03/examples/extended/exoticphysics/channeling/include/XUnitCell.hh
• source/geant4.10.03.p03/examples/extended/exoticphysics/channeling/src/XUnitCell.cc