gcu::CrystalAtom Class Reference

#include <gcu/crystalatom.h>

Inheritance diagram for gcu::CrystalAtom:

gcu::Atom gcu::Object

List of all members.

Public Member Functions

 CrystalAtom (CrystalAtom &caAtom)
void SetColor (float red, float green, float blue, float alpha)
void SetDefaultColor ()
bool HasCustomColor ()
void GetColor (double *red, double *green, double *blue, double *alpha)
void SetSize (double r)
double GetSize ()
bool operator== (CrystalAtom &caAtom)
void Cleave ()
double ScalProd (int h, int k, int l)
void NetToCartesian (double a, double b, double c, double alpha, double beta, double gamma)
double Distance (double x, double y, double z, bool bFixed)
double r ()
const GcuAtomicRadiusGetRadius ()
void SetRadius (const GcuAtomicRadius &r)
bool IsCleaved ()
virtual bool SaveNode (xmlDocPtr xml, xmlNodePtr node) const
virtual bool LoadNode (xmlNodePtr node)

Protected Member Functions

bool SetProperty (unsigned property, char const *value)
std::string GetProperty (unsigned property) const

Protected Attributes

float m_fBlue
float m_fRed
float m_fGreen
float m_fAlpha
bool m_bCustomColor
GcuAtomicRadius m_Radius
int m_nCleave


Detailed Description

Used to represent atoms in a crystal.

Definition at line 45 of file crystalatom.h.


Constructor & Destructor Documentation

gcu::CrystalAtom::CrystalAtom ( CrystalAtom caAtom  ) 

Parameters:
caAtom,: the CrystalAtom to duplicate.
Creates a new CrystalAtom identical to caAtom.


Member Function Documentation

void gcu::CrystalAtom::Cleave (  )  [inline]

Method used to cleave an atom. The inverse operation does not exist since the whole crystal must be recalculated after a change in the definition.

Definition at line 126 of file crystalatom.h.

References m_nCleave.

double gcu::CrystalAtom::Distance ( double  x,
double  y,
double  z,
bool  bFixed 
)

Parameters:
x,: the x coordinate of the center.
y,: the y coordinate of the center.
z,: the z coordinate of the center.
bFixed,: tells if cleaved atoms are taken into account.
This helper method is called when searching for the size of the crystal. When some cleavages are defined, the procedure cn take into account atoms cleaved to get the same position in the view for the cleaved crystal than for the whole crystal. If bFixed is true, all atoms are taken into account.

Returns:
the distance of the atom to the center of the view or 0 if bFixed is false and the atom cleaved.

void gcu::CrystalAtom::GetColor ( double *  red,
double *  green,
double *  blue,
double *  alpha 
)

Parameters:
red,: a pointer to the red component.
green,: a pointer to the green component.
blue,: a pointer to the blue component.
alpha,: a pointer to the alpha component.
Used to retrieve the color used in the representation of the atom. Mainly useful for user defined colors.

std::string gcu::CrystalAtom::GetProperty ( unsigned  property  )  const [protected, virtual]

Parameters:
property the identity of the property as defined in objprops.h.
Used by the gcu::Loader mechanism to retrieve properties of atoms.
Returns:
the value of the property as a string.

Reimplemented from gcu::Atom.

const GcuAtomicRadius& gcu::CrystalAtom::GetRadius (  )  [inline]

Returns:
the GcuAtomicRadius containing the caracteristics of the atom radius.

Definition at line 169 of file crystalatom.h.

References m_Radius.

double gcu::CrystalAtom::GetSize (  ) 

Returns:
the value of the radius (in pm).

bool gcu::CrystalAtom::HasCustomColor (  )  [inline]

Returns:
: true if the color is user defined and false if it is the default color.

Definition at line 96 of file crystalatom.h.

References m_bCustomColor.

bool gcu::CrystalAtom::IsCleaved (  )  [inline]

Returns:
true if the atom is cleaved by at least one cleavage or false if the atom is not cleaved at all.

Definition at line 177 of file crystalatom.h.

References m_nCleave.

virtual bool gcu::CrystalAtom::LoadNode ( xmlNodePtr  node  )  [virtual]

Parameters:
node,: a pointer to the xmlNode containing the serialized Atom.
Loads the color and the radius of the atom.

Reimplemented from gcu::Atom.

void gcu::CrystalAtom::NetToCartesian ( double  a,
double  b,
double  c,
double  alpha,
double  beta,
double  gamma 
)

Parameters:
a,: the a parameter of the unit cell.
b,: the b parameter of the unit cell.
c,: the c parameter of the unit cell.
alpha,: the alpha angle of the unit cell.
beta,: the beta angle of the unit cell.
gamma,: the gamma angle of the unit cell.
Converts the coordinates of the atom from net related ones to cartesian. Initially, atoms are defined by their position relative to the unit cell and the coordinates must be transformed to the cartesian ones before displaying the atom.

bool gcu::CrystalAtom::operator== ( CrystalAtom caAtom  ) 

Parameters:
caAtom,: a CrystalAtom instance.
Returns:
true if the atoms are at the same position and false if their positions are different.

double gcu::CrystalAtom::r (  )  [inline]

Returns:
the value of the radius (in pm).

Definition at line 165 of file crystalatom.h.

References m_Radius, GcuDimensionalValue::value, and GcuAtomicRadius::value.

virtual bool gcu::CrystalAtom::SaveNode ( xmlDocPtr  xml,
xmlNodePtr  node 
) const [virtual]

Parameters:
xml,: the xmlDoc used to save the document.
node,: a pointer to the xmlNode to which this Atom is serialized.
Saves the color and the radius of the atom.

Reimplemented from gcu::Atom.

double gcu::CrystalAtom::ScalProd ( int  h,
int  k,
int  l 
)

Parameters:
h,: the h Miller index of a plane.
k,: the k Miller index of a plane.
l,: the l Miller index of a plane.
Returns:
the product hx+ky+lz where x, y and z are the coordinates of the atom. This makes sense only if coordinates are related to the net and are not the cartesian coordinates. This method should not be called after NetToCartesian().

void gcu::CrystalAtom::SetColor ( float  red,
float  green,
float  blue,
float  alpha 
)

Parameters:
red,: the red component of the color.
green,: the green component of the color.
blue,: the blue component of the color.
alpha,: the alpha component of the color.
Sets a custom color to the atom.

void gcu::CrystalAtom::SetDefaultColor (  ) 

Gives the atom the default color.

bool gcu::CrystalAtom::SetProperty ( unsigned  property,
char const *  value 
) [protected, virtual]

Parameters:
property the identity of the property as defined in objprops.h.
value the value of the property as a string.
Used by the gcu::Loader mechanism to load properties of atoms.
Returns:
true on success.

Reimplemented from gcu::Atom.

void gcu::CrystalAtom::SetRadius ( const GcuAtomicRadius r  ) 

Parameters:
r,: a GcuAtomicRadius with the caracteristics of the atom radius.

void gcu::CrystalAtom::SetSize ( double  r  ) 

Parameters:
r,: the new value of the atomic radius.
Sets the value of the radius (in pm).


Member Data Documentation

False if the color used is the default color and true if it is a user defined color.

Definition at line 212 of file crystalatom.h.

Referenced by HasCustomColor().

float gcu::CrystalAtom::m_fAlpha [protected]

The alpha component of the color of the sphere representing the atom.

Definition at line 208 of file crystalatom.h.

float gcu::CrystalAtom::m_fBlue [protected]

The blue component of the color of the sphere representing the atom.

Definition at line 196 of file crystalatom.h.

float gcu::CrystalAtom::m_fGreen [protected]

The green component of the color of the sphere representing the atom.

Definition at line 204 of file crystalatom.h.

float gcu::CrystalAtom::m_fRed [protected]

The red component of the color of the sphere representing the atom.

Definition at line 200 of file crystalatom.h.

int gcu::CrystalAtom::m_nCleave [protected]

When cleavages (see CrystalCleavage class documentation) are defined, the atom might be cleaved. m_nCleave is the number of CrystalCleavage instances which remove the atom. If this member is not 0, the atom will not be displayed.

Definition at line 222 of file crystalatom.h.

Referenced by Cleave(), and IsCleaved().

The GcuAtomicRadius containing the radius caracteristics of the atom.

Definition at line 216 of file crystalatom.h.

Referenced by GetRadius(), and r().


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

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