The Gnome Chemistry Utils 0.13.3
Public Member Functions | Protected Attributes
gcr::Line Class Reference

#include <gcr/line.h>

List of all members.

Public Member Functions

 Line ()
virtual ~Line ()
 Line (LineType Type, double X1, double Y1, double Z1, double X2, double Y2, double Z2, double r, float red, float green, float blue, float alpha)
 Line (Line &clLine)
Lineoperator= (Line &clLine)
double X1 (void)
double Y1 (void)
double Z1 (void)
double X2 (void)
double Y2 (void)
double Z2 (void)
double Xmax ()
double Ymax ()
double Zmax ()
double Xmin ()
double Ymin ()
double Zmin ()
double Long ()
LineType Type ()
void SetPosition (double x, double y, double z, double x1, double y1, double z1)
void SetColor (float red, float green, float blue, float alpha)
void GetColor (double *red, double *green, double *blue, double *alpha)
void SetRadius (double r)
double GetRadius ()
bool operator== (Line &clLine)
virtual void Move (double x, double y, double z)
double ScalProd (int h, int k, int l)
void Cleave ()
void NetToCartesian (double a, double b, double c, double alpha, double beta, double gamma)
double Distance (double x, double y, double z, bool bFixed)
bool IsCleaved ()
void GetRotation (double &x, double &y, double &z, double &th)
virtual xmlNodePtr Save (xmlDocPtr xml) const
virtual bool Load (xmlNodePtr node)

Protected Attributes

float m_fBlue
float m_fRed
float m_fGreen
float m_fAlpha
double m_dx
double m_dy
double m_dz
double m_dx2
double m_dy2
double m_dz2
double m_dr
int m_nCleave
LineType m_nType

Detailed Description

Describes lines represented as cylinders in the view. Thes cylinders are not capped.

Definition at line 54 of file gcr/line.h.


Constructor & Destructor Documentation

gcr::Line::Line ( )

The default constructor of Line.

virtual gcr::Line::~Line ( ) [virtual]

The destructior of CrystaLine

gcr::Line::Line ( LineType  Type,
double  X1,
double  Y1,
double  Z1,
double  X2,
double  Y2,
double  Z2,
double  r,
float  red,
float  green,
float  blue,
float  alpha 
)
Parameters:
Type,:the type (LineType) of the new line.
X1,:the x coordinate of the first end of the new line.
Y1,:the y coordinate of the first end of the new line.
Z1,:the z coordinate of the first end of the new line.
X2,:the x coordinate of the second end of the new line.
Y2,:the y coordinate of the second end of the new line.
Z2,:the z coordinate of the second end of the new line.
r,:the radius of the cylinder which will represent the new line.
red,:the red component of the cylinder which will represent the new line.
green,:the green component of the cylinder which will represent the new line.
blue,:the blue component of the cylinder which will represent the new line.
alpha,:the alpha component of the cylinder which will represent the new line.

Constructs a new line from its characterisitics.

gcr::Line::Line ( Line clLine)
Parameters:
clLine,:the line to duplicate.

Creates a new line with the same characteristics as clLine.


Member Function Documentation

void gcr::Line::Cleave ( ) [inline]

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

Definition at line 221 of file gcr/line.h.

References m_nCleave.

double gcr::Line::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 lines 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 lines cleaved to get the same position in the view for the cleaved crystal than for the whole crystal. If bFixed is true, all lines are taken into account.

Returns:
the largest distance of the line to the center of the view or 0 if bFixed is false and the line cleaved.
void gcr::Line::GetColor ( double *  red,
double *  green,
double *  blue,
double *  alpha 
)
Parameters:
red,:a pointer to the location to which the red component of the color of the line will be copied.
green,:a pointer to the location to which the green component of the new color of the line will be copied.
blue,:a pointer to the location to which the blue component of the new color of the line will be copied.
alpha,:a pointer to the location to which the alpha component of the new color of the line will be copied.

Gets the components of the color used to display the line.

double gcr::Line::GetRadius ( void  ) [inline]
Returns:
the radius of the cylinder used to represent the line.

Definition at line 192 of file gcr/line.h.

References m_dr.

void gcr::Line::GetRotation ( double &  x,
double &  y,
double &  z,
double &  th 
)
Parameters:
x,:the x component of the vector of the rotation axis.
y,:the y component of the vector of the rotation axis.
z,:the z component of the vector of the rotation axis.
th,:the angle of the rotation.

This helper method is used to get the orientation of the line relative to the z axis. It is used when exporting to the VRML format.

bool gcr::Line::IsCleaved ( ) [inline]
Returns:
true if the line is cleaved by at least one cleavage or false if the line is not cleaved at all.

Definition at line 251 of file gcr/line.h.

References m_nCleave.

virtual bool gcr::Line::Load ( xmlNodePtr  node) [virtual]
Parameters:
node,:a pointer to the xmlNode containing the serialized line.

Loads a line from the XML document.

double gcr::Line::Long ( ) [inline]
Returns:
the length of the line.

Definition at line 149 of file gcr/line.h.

virtual void gcr::Line::Move ( double  x,
double  y,
double  z 
) [virtual]
Parameters:
x,:the x component of the transation vector.
y,:the y component of the transation vector.
z,:the z component of the transation vector.

Used to move a line.

void gcr::Line::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 line from net related ones to cartesian. Initially, lines are defined by their position relative to the unit cell and the coordinates must be transformed to the cartesian ones before displaying the line.

Line& gcr::Line::operator= ( Line clLine)
Parameters:
clLine,:the line to copy.

Copies a line.

Returns:
the copied line.
bool gcr::Line::operator== ( Line clLine)
Parameters:
clLine,:a Line instance.
Returns:
true if the two lines have the same type and the same position.
virtual xmlNodePtr gcr::Line::Save ( xmlDocPtr  xml) const [virtual]
Parameters:
xml,:the xmlDoc used to save the document.

Saves the line.

Returns:
the xmlnode containing the description of the line.
double gcr::Line::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 one of the ends the line. The end giving the largest value is retained for the calculus. 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 gcr::Line::SetColor ( float  red,
float  green,
float  blue,
float  alpha 
)
Parameters:
red,:the red component of the new color of the line.
green,:the green component of the new color of the line.
blue,:the blue component of the new color of the line.
alpha,:the alpha component of the new color of the line.

Changes the color used to display the line.

void gcr::Line::SetPosition ( double  x,
double  y,
double  z,
double  x1,
double  y1,
double  z1 
)
Parameters:
x,:the new x coordinate of the first end of the new line.
y,:the new y coordinate of the first end of the new line.
z,:the new z coordinate of the first end of the new line.
x1,:the new x coordinate of the second end of the new line.
y1,:the new y coordinate of the second end of the new line.
z1,:the new z coordinate of the second end of the new line.

Moves a line to a new position.

void gcr::Line::SetRadius ( double  r)
Parameters:
r,:the new radius of the cylinder representing the line.

Changes the radius of the cylinder used to represent the line.

LineType gcr::Line::Type ( ) [inline]
Returns:
the type of the line (see LineType).

Definition at line 153 of file gcr/line.h.

References m_nType.

double gcr::Line::X1 ( void  ) [inline]
Returns:
the x coordinate of the first end of the line.

Definition at line 101 of file gcr/line.h.

References m_dx.

double gcr::Line::X2 ( void  ) [inline]
Returns:
the x coordinate of the second end of the line.

Definition at line 113 of file gcr/line.h.

References m_dx2.

double gcr::Line::Xmax ( )
Returns:
the greatest x coordinate of the line.
double gcr::Line::Xmin ( )
Returns:
the lowest x coordinate of the line.
double gcr::Line::Y1 ( void  ) [inline]
Returns:
the y coordinate of the first end of the line.

Definition at line 105 of file gcr/line.h.

References m_dy.

double gcr::Line::Y2 ( void  ) [inline]
Returns:
the y coordinate of the second end of the line.

Definition at line 117 of file gcr/line.h.

References m_dy2.

double gcr::Line::Ymax ( )
Returns:
the greatest y coordinate of the line.
double gcr::Line::Ymin ( )
Returns:
the lowest y coordinate of the line.
double gcr::Line::Z1 ( void  ) [inline]
Returns:
the z coordinate of the first end of the line.

Definition at line 109 of file gcr/line.h.

References m_dz.

double gcr::Line::Z2 ( void  ) [inline]
Returns:
the z coordinate of the second end of the line.

Definition at line 121 of file gcr/line.h.

References m_dz2.

double gcr::Line::Zmax ( )
Returns:
the greatest z coordinate of the line.
double gcr::Line::Zmin ( )
Returns:
the lowest z coordinate of the line.

Member Data Documentation

double gcr::Line::m_dr [protected]

The radius of the cylinder representing the line.

Definition at line 320 of file gcr/line.h.

Referenced by GetRadius().

double gcr::Line::m_dx [protected]

The x coordinate of the first end of the line.

Definition at line 296 of file gcr/line.h.

Referenced by X1().

double gcr::Line::m_dx2 [protected]

The x coordinate of the second end of the line.

Definition at line 308 of file gcr/line.h.

Referenced by X2().

double gcr::Line::m_dy [protected]

The y coordinate of the first end of the line.

Definition at line 300 of file gcr/line.h.

Referenced by Y1().

double gcr::Line::m_dy2 [protected]

The x coordinate of the second end of the line.

Definition at line 312 of file gcr/line.h.

Referenced by Y2().

double gcr::Line::m_dz [protected]

The z coordinate of the first end of the line.

Definition at line 304 of file gcr/line.h.

Referenced by Z1().

double gcr::Line::m_dz2 [protected]

The x coordinate of the second end of the line.

Definition at line 316 of file gcr/line.h.

Referenced by Z2().

float gcr::Line::m_fAlpha [protected]

The alpha component of the color of the cylinder representing the line.

Definition at line 292 of file gcr/line.h.

float gcr::Line::m_fBlue [protected]

The blue component of the color of the cylinder representing the line.

Definition at line 280 of file gcr/line.h.

float gcr::Line::m_fGreen [protected]

The green component of the color of the cylinder representing the line.

Definition at line 288 of file gcr/line.h.

float gcr::Line::m_fRed [protected]

The red component of the color of the cylinder representing the line.

Definition at line 284 of file gcr/line.h.

int gcr::Line::m_nCleave [protected]

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

Definition at line 326 of file gcr/line.h.

Referenced by Cleave(), and IsCleaved().

LineType gcr::Line::m_nType [protected]

The type of the Line instance. Possible values are:

  • edges: all the cell edges.
  • diagonals: the lines joining opposite vertices of a cell.
  • medians: the lines joining the centers of opposite faces of a cell.
  • normal: a line with defined ends, repeated in each displayes cell.
  • unique: a line with defined ends, not repeated.

Definition at line 335 of file gcr/line.h.

Referenced by Type().


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