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VisAtomSample.cpp
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/* This is a class used for in VisAtom, a visualiztion tool for
atomistic simulations.
AUTHOR: Qing HOU
INSTITUTION: Institute of Nuclear Science and Technology, Sichuan University
HISTROTY: First version: 1998
LAST MODIFICATION: 2013
*/
#include <windows.h> // Standard windows include
#include <gl\gl.h> // OpenGL library
#include <gl\glu.h> // OpenGL library
#include <stdlib.h>
#include <stdio.h>
#include "Arrow.h"
#include "Arrowline.h"
#include "Circle.h"
#include "SolidCircle.h"
#include "Style.h"
#include "Sphere.h"
#include "VisAtomDataSheet.h"
#include "VisAtomSubSample.h"
#include "VisAtomSample.h"
#include "VisAtomCliper.h"
#include "VisAtomVisualizingPolicy.h"
#include "VisAtomTrajectory.h"
void VisAtomSample::Clear(bool keepsubsample)
{
if(!m_aType) delete m_aType;m_aType= NULL;
if(!m_aPx) delete m_aPx; m_aPx = NULL;
if(!m_aPy) delete m_aPy; m_aPy = NULL;
if(!m_aPz) delete m_aPz; m_aPz = NULL;
if(!m_aRadius) delete m_aRadius; m_aRadius = NULL;
if(!m_aRed) delete m_aRed; m_aRed = NULL;
if(!m_aGreen) delete m_aGreen; m_aGreen = NULL;
if(!m_aBlue) delete m_aBlue; m_aBlue = NULL;
if(!m_aRedex) delete m_aRedex; m_aRedex = NULL;
if(!m_aGreenex) delete m_aGreenex; m_aGreenex = NULL;
if(!m_aBlueex) delete m_aBlueex; m_aBlueex = NULL;
if(!m_aGeomStyle) delete m_aGeomStyle; m_aGeomStyle = NULL;
if(!m_aVisStat) delete m_aVisStat; m_aVisStat = NULL;
if(m_vPx) delete m_vPx; m_vPx = NULL;
if(m_vPy) delete m_vPy; m_vPy = NULL;
if(m_vPz) delete m_vPz; m_vPz = NULL;
if( !keepsubsample)
{
while(!this->m_subSamples.isEmpty())
{
VisAtomSubSample*p = this->m_subSamples[0];
delete p;
this->m_subSamples.removeAt(0);
this->m_selSubsamples.removeAt(0);
}
}
//dettach from the data sheet
m_pData = NULL;
return;
}
VisAtomSample::~VisAtomSample()
{
Clear();
m_pickedAtomID = -1;
m_numAtom = 0;
m_pCliper.clear();
}
VisAtomSample::VisAtomSample()
{
m_pData = NULL;
m_aType = NULL;
m_aPx = NULL;
m_aPy = NULL;
m_aPz = NULL;
m_aXmi = m_aXmx = m_aYmi = m_aYmx = m_aZmi = m_aZmx = 0;
m_aRadius = NULL;
m_aRed = NULL;
m_aGreen = NULL;
m_aBlue = NULL;
m_aRedex = NULL;
m_aGreenex = NULL;
m_aBlueex = NULL;
m_aGeomStyle = NULL;
m_aVisStat = NULL;
m_vPx = NULL;
m_vPy = NULL;
m_vPz = NULL;
m_numAtom = 0;
m_curSubsample = -1;
m_pickedAtomID = -1;
m_pick_style = atom_pick_Option_Single;
m_pick_statu = atom_pick_Statu_nopicked;
m_pTrajectory = NULL;
}
void VisAtomSample::Paint()
{
glMatrixMode(GL_MODELVIEW);
glEnable(GL_DEPTH_TEST);
Draw();
if(this->m_pTrajectory)
{
this->m_pTrajectory->Paint();
}
return;
}
//********************************************
void VisAtomSample::Draw()
{
if(m_numAtom <= 0) return;
DrawProjCirleAtoms(-1, 0, 0);
DrawProjCirleAtoms( 1, 0, 0);
DrawProjCirleAtoms( 0, 1, 0);
DrawProjCirleAtoms( 0,-1, 0);
DrawProjCirleAtoms( 0, 0, 1);
DrawProjCirleAtoms( 0, 0,-1);
DrawProjSolidAtoms(-1, 0, 0);
DrawProjSolidAtoms( 1, 0, 0);
DrawProjSolidAtoms( 0, 1, 0);
DrawProjSolidAtoms( 0,-1, 0);
DrawProjSolidAtoms( 0, 0, 1);
DrawProjSolidAtoms( 0, 0,-1);
DrawProjDotAtoms(-1, 0, 0);
DrawProjDotAtoms( 1, 0, 0);
DrawProjDotAtoms( 0, 1, 0);
DrawProjDotAtoms( 0,-1, 0);
DrawProjDotAtoms( 0, 0, 1);
DrawProjDotAtoms( 0, 0,-1);
glEnable(GL_DEPTH_TEST);
DrawCircleAtoms(VisAtomVisualizingPolicy::D3_STYLE_INBOX);
DrawSolidAtoms(VisAtomVisualizingPolicy::D3_STYLE_INBOX);
DrawDotAtoms(VisAtomVisualizingPolicy::D3_STYLE_INBOX);
DrawLineVectors(VisAtomVisualizingPolicy::D3_STYLE_INBOX);
DrawSolidVectors(VisAtomVisualizingPolicy::D3_STYLE_INBOX);
DrawCircleAtoms(VisAtomVisualizingPolicy::D3_STYLE_OUTBOX);
DrawSolidAtoms(VisAtomVisualizingPolicy::D3_STYLE_OUTBOX);
DrawDotAtoms(VisAtomVisualizingPolicy::D3_STYLE_OUTBOX);
DrawLineVectors(VisAtomVisualizingPolicy::D3_STYLE_OUTBOX);
DrawSolidVectors(VisAtomVisualizingPolicy::D3_STYLE_OUTBOX);
return;
}
//*********************************************
//to high-light the slected atoms
void VisAtomSample::HighlightSelectedAtoms()
{
int j, list;
Style Sty;
Sphere Balls = Sphere();
bool checkin, in;
float x0, x1, y0, y1, z0, z1;
glEnable(GL_LIGHTING);
Sty.SolidFrontOnly();
glEnable(GL_COLOR_MATERIAL);
glEnable(GL_NORMALIZE);
glEnable(GL_BLEND);
glBlendFunc(GL_SRC_ALPHA, GL_ONE_MINUS_SRC_ALPHA);
list = Balls.MakeList();
for (j = 0; j<m_numAtom; j++)
{
if (this->m_aVisStat[j] & atom_Statu_Selected)
{
glColor4f(0.7f, 0.7f, 0.0f, 0.5f);
glPushMatrix();
glTranslatef(m_aPx[j], m_aPy[j], m_aPz[j]);
glScalef(1.01f*m_aRadius[j], 1.01f*m_aRadius[j], 1.01f*m_aRadius[j]);
glCallList(list);
glPopMatrix();
}
}
return;
}
void VisAtomSample::HighlightFoundAtoms()
{
int j, list;
Style Sty;
Sphere Balls = Sphere();
bool checkin, in;
float x0, x1, y0, y1, z0, z1;
glEnable(GL_LIGHTING);
Sty.SolidFrontOnly();
glEnable(GL_COLOR_MATERIAL);
glEnable(GL_NORMALIZE);
glEnable(GL_BLEND);
glBlendFunc(GL_SRC_ALPHA, GL_ONE_MINUS_SRC_ALPHA);
list = Balls.MakeList();
for (j = 0; j<m_numAtom; j++)
{
if (this->m_aVisStat[j] & atom_Statu_MarkedFound)
{
glColor4f(0.7f, 0.7f, 0.7f, 0.5f);
glPushMatrix();
glTranslatef(m_aPx[j], m_aPy[j], m_aPz[j]);
glScalef(1.01f*m_aRadius[j], 1.01f*m_aRadius[j], 1.01f*m_aRadius[j]);
glCallList(list);
glPopMatrix();
}
}
return;
}
//********************************************
//To draw atom in style of solid sphere
void VisAtomSample::DrawSolidAtoms(int inbox)
{
int j, list;
Style Sty;
Sphere Balls=Sphere();
bool checkin, in;
float x0, x1, y0, y1, z0, z1;
glEnable(GL_LIGHTING);
Sty.SolidFrontOnly();
VisAtomVisualizingPolicy::GetProjectionBox(x0, x1, y0, y1, z0, z1);
if (inbox == VisAtomVisualizingPolicy::D3_STYLE_INBOX) checkin = true;
else checkin = false;
float shine[] = {0.5f, 0.5f, 0.5f, 1.0f};
glMaterialfv(GL_FRONT, GL_SPECULAR,shine);
glMateriali(GL_FRONT,GL_SHININESS,100);
glEnable(GL_COLOR_MATERIAL);
glEnable(GL_NORMALIZE);
list = Balls.MakeList();
for(j=0; j<m_numAtom; j++)
{
if ( (this->m_aVisStat[j] & atom_Statu_Visiable || this->m_aVisStat[j] & atom_Statu_MarkedFound) &&
(this->m_aGeomStyle[j] & inbox) &&
(this->m_aGeomStyle[j] & VisAtomVisualizingPolicy::SHAPE_STYLE_MASK) == VisAtomVisualizingPolicy::SHAPE_STYLE_SOLID)
{
in = (x0 <= m_aPx[j] && m_aPx[j] <= x1) && (y0 <= m_aPy[j] && m_aPy[j] <= y1) && (z0 <= m_aPz[j] && m_aPz[j] <= z1);
if (in == checkin)
{
glPushName(j);
glColor4f(m_aRed[j], m_aGreen[j], m_aBlue[j], 1.f);
glPushMatrix();
glTranslatef(m_aPx[j], m_aPy[j], m_aPz[j]);
glScalef(m_aRadius[j], m_aRadius[j], m_aRadius[j]);
glCallList(list);
glPopMatrix();
glPopName();
}
}
}
return;
}
//********************************************
//To draw atom of type I in style of solid sphere
void VisAtomSample::DrawWireAtoms(int inbox)
{
int j;
Style Sty;
Sphere Balls=Sphere();
int Balllist;
bool checkin, in;
float x0, x1, y0, y1, z0, z1;
glEnable(GL_LIGHTING);
Sty.Wire();
VisAtomVisualizingPolicy::GetProjectionBox(x0, x1, y0, y1, z0, z1);
if (inbox == VisAtomVisualizingPolicy::D3_STYLE_INBOX) checkin = true;
else checkin = false;
Balllist = Balls.MakeList();
for(j=0; j<m_numAtom; j++)
{
if((m_aVisStat[j]&atom_Statu_Visiable || this->m_aVisStat[j] & atom_Statu_MarkedFound) &&
(this->m_aGeomStyle[j] & inbox) &&
(this->m_aGeomStyle[j] & VisAtomVisualizingPolicy::SHAPE_STYLE_MASK)==VisAtomVisualizingPolicy::SHAPE_STYLE_WIRE)
{
in = (x0 <= m_aPx[j] && m_aPx[j] <= x1) && (y0 <= m_aPy[j] && m_aPy[j] <= y1) && (z0 <= m_aPz[j] && m_aPz[j] <= z1);
if (in == checkin)
{
glPushName(j);
glColor4f(this->m_aRed[j], this->m_aGreen[j], this->m_aBlue[j], 1.f);
glPushMatrix();
glTranslatef(this->m_aPx[j], this->m_aPy[j], this->m_aPz[j]);
glScalef(this->m_aRadius[j], this->m_aRadius[j], this->m_aRadius[j]);
glCallList(Balllist);
glPopMatrix();
glPopName();
}
}
}
return;
}
//********************************************
//To draw atom of type I in style of dot
void VisAtomSample::DrawDotAtoms(int inbox)
{
int j;
bool checkin, in;
float x0, x1, y0, y1, z0, z1;
VisAtomVisualizingPolicy::GetProjectionBox(x0, x1, y0, y1, z0, z1);
if (inbox == VisAtomVisualizingPolicy::D3_STYLE_INBOX) checkin = true;
else checkin = false;
glDisable(GL_LIGHTING);
glPointSize(2.f);
for(j=0; j<m_numAtom; j++)
{
if( (m_aVisStat[j]&atom_Statu_Visiable || this->m_aVisStat[j] & atom_Statu_MarkedFound) &&
(this->m_aGeomStyle[j] & inbox) &&
(this->m_aGeomStyle[j] & VisAtomVisualizingPolicy::SHAPE_STYLE_MASK)==VisAtomVisualizingPolicy::SHAPE_STYLE_DOT)
{
in = (x0 <= m_aPx[j] && m_aPx[j] <= x1) && (y0 <= m_aPy[j] && m_aPy[j] <= y1) && (z0 <= m_aPz[j] && m_aPz[j] <= z1);
if (in == checkin)
{
glColor4f(this->m_aRed[j], this->m_aGreen[j], this->m_aBlue[j], 1.f);
glPushName(j);
glBegin(GL_POINTS);
glVertex3f(m_aPx[j], m_aPy[j], m_aPz[j]);
glEnd();
glPopName();
}
}
}
return;
}
//*******************************************************************************
// to draw atoms in circles
void VisAtomSample::DrawCircleAtoms(int inbox)
{
if(m_numAtom <= 0) return;
double winx, winy, winz;
double winx1, winy1, winz1;
GLdouble modelMatrix[16];
GLdouble projMatrix[16];
GLint viewport[4];
bool checkin, in;
float bx0, bx1, by0, by1, bz0, bz1;
VisAtomVisualizingPolicy::GetProjectionBox(bx0, bx1, by0, by1, bz0, bz1);
if (inbox == VisAtomVisualizingPolicy::D3_STYLE_INBOX) checkin = true;
else checkin = false;
int i, k, n, NA;
Circle BallsLine=Circle();
SolidCircle BallsPie=SolidCircle();
Style Sty=Style();
glDisable(GL_LIGHTING);
Sty.SolidFrontOnly();
//to get current transform matrix
glGetDoublev(GL_MODELVIEW_MATRIX, modelMatrix);
glGetDoublev(GL_PROJECTION_MATRIX, projMatrix);
glGetIntegerv(GL_VIEWPORT, viewport);
//to determine the rotation
double x0, y0, z0, xx0, yy0, zz0, len;
double vx[3], vy[3], vz[3];
double theta;
vx[0] = modelMatrix[0];
vx[1] = modelMatrix[1];
vx[2] = modelMatrix[2];
len = vx[0]*vx[0]+vx[1]*vx[1]+vx[2]*vx[2];
len = sqrt((double)len);
vx[0] = vx[0]/len;
vx[1] = vx[1]/len;
vx[2] = vx[2]/len;
vy[0] = modelMatrix[4];
vy[1] = modelMatrix[5];
vy[2] = modelMatrix[6];
len = vy[0]*vy[0]+vy[1]*vy[1]+vy[2]*vy[2];
len = sqrt((double)len);
vy[0] = vy[0]/len;
vy[1] = vy[1]/len;
vy[2] = vy[2]/len;
vz[0] = modelMatrix[8];
vz[1] = modelMatrix[9];
vz[2] = modelMatrix[10];
len = vz[0]*vz[0]+vz[1]*vz[1]+vz[2]*vz[2];
len = sqrt((double)len);
vz[0] = vz[0]/len;
vz[1] = vz[1]/len;
vz[2] = vz[2]/len;
x0 = vx[2];
y0 = vy[2];
z0 = vz[2];
theta = x0*vz[0]+y0*vz[1]+z0*vz[2];
theta = acos(z0)*(180.0/3.14159265359);
//The normal of plane (Z,Z') in (X, Y, Z) coordinate system:
xx0 = -y0;
yy0 = x0;
zz0 = 0.0;
BallsLine.SetBorderThick(1.f);
int list1 = BallsPie.MakeList();
int list2 = BallsLine.MakeList();
float rad;
for(i=0; i<m_numAtom; i++)
{
if( (this->m_aVisStat[i] & atom_Statu_Visiable || this->m_aVisStat[i] & atom_Statu_MarkedFound) &&
(this->m_aGeomStyle[i] & inbox) &&
(((this->m_aGeomStyle[i] & VisAtomVisualizingPolicy::SHAPE_STYLE_MASK)==VisAtomVisualizingPolicy::SHAPE_STYLE_LINE)||
((this->m_aGeomStyle[i] & VisAtomVisualizingPolicy::SHAPE_STYLE_MASK)==VisAtomVisualizingPolicy::SHAPE_STYLE_WIRE)) )
{
in = (bx0 <= m_aPx[i] && m_aPx[i] <= bx1) && (by0 <= m_aPy[i] && m_aPy[i] <= by1) && (bz0 <= m_aPz[i] && m_aPz[i] <= bz1);
if (in == checkin)
{
int j = i;
glPushName(j);
glPushMatrix();
glTranslatef(m_aPx[j], m_aPy[j], m_aPz[j]);
glRotated(theta, xx0, yy0, zz0);
//draw pie
rad = this->m_aRadius[j] * 0.98;
glPushMatrix();
glScalef(rad, rad, rad);
if ((this->m_aGeomStyle[j] & VisAtomVisualizingPolicy::SHAPE_STYLE_MASK) == VisAtomVisualizingPolicy::SHAPE_STYLE_LINE)
glColor3f(1.f, 1.f, 1.f);
else
glColor3f(m_aRed[j], m_aGreen[j], m_aBlue[j]);
glCallList(list1);
glPopMatrix();
//draw edge
glPushMatrix();
glScalef(rad, rad, rad);
if ((this->m_aGeomStyle[j] & VisAtomVisualizingPolicy::SHAPE_STYLE_MASK) == VisAtomVisualizingPolicy::SHAPE_STYLE_LINE)
glColor3f(m_aRed[j], m_aGreen[j], m_aBlue[j]);
else
glColor3f(m_aRedex[j], m_aGreenex[j], m_aBlueex[j]);
glCallList(list2);
glPopMatrix();
glPopMatrix();
glPopName();
}
}
}
//delete id;
glEnable(GL_LIGHTING);
return;
}
//*******************************************************************************
// to draw colormaping bar
void VisAtomSample::DrawColorMappinBar(int lablepos[])
{
#define BARW 16
#define BARH 16*6
double winx, winy, winz;
GLdouble modelMatrix[16];
GLdouble projMatrix[16];
GLint viewport[4];
double LB[3], RT[3];
glGetIntegerv(GL_VIEWPORT, viewport);
glDisable(GL_DEPTH_TEST);
glMatrixMode(GL_MODELVIEW);
glPushMatrix();
glLoadIdentity();
glMatrixMode(GL_PROJECTION);
glPushMatrix();
glLoadIdentity();
glGetDoublev(GL_MODELVIEW_MATRIX, modelMatrix);
glGetDoublev(GL_PROJECTION_MATRIX, projMatrix);
//get the object coodination of left-bottom corner of viewport
winx = (double)viewport[0];
winy = (double)viewport[1]; //(double)(h - viewport[1]);
winz = 0;
gluUnProject(winx, winy, winz, modelMatrix, projMatrix, viewport,
&LB[0], &LB[1], &LB[2]);
//get the object coodination of left-bottom corner of viewport
winx = winx + (double)viewport[2];
winy = winy + (double)viewport[3];
winz = 0;
gluUnProject(winx, winy, winz, modelMatrix, projMatrix, viewport,
&RT[0], &RT[1], &RT[2]);
int nbar = VisAtomVisualizingPolicy::GetColorMappingNumBar();
double hh = RT[1] - LB[1];
double step = hh / (nbar - 1);
float R, G, B;
double x1, y1, z1, x2, y2, z2;
x1 = LB[0];
y1 = LB[1];
z1 = 0.5*(LB[2] + RT[2]);
x2 = RT[0];
y2 = y1 + step;
z2 = z1;
glEnable(GL_COLOR_MATERIAL);
int i;
for (i = 0; i<nbar - 1; i++)
{
VisAtomVisualizingPolicy::GetColorMappingBar(i, R, G, B);
glBegin(GL_POLYGON);
glColor3f(R, G, B);
glVertex2d(x1 + 0.1*(x2 - x1), y1); // , z1);
glVertex2d(x2, y1); // , z1);
VisAtomVisualizingPolicy::GetColorMappingBar(i + 1, R, G, B);
glColor3f(R, G, B);
glVertex2d(x2, y2); // , z1);
glVertex2d(x1 + 0.1*(x2 - x1), y2); // , z1);
//VisAtomVisualizingPolicy::GetColorMappingBar(i, R, G, B);
//glColor3f(R, G, B);
//glVertex3d(x1, y1, z1);
glEnd();
VisAtomVisualizingPolicy::GetColorMappingBar(i, R, G, B);
glBegin(GL_LINES);
glColor3f(R, G, B);
glVertex2d(x1, y1);// , z1);
glVertex2d(x2, y1); // , z1);
VisAtomVisualizingPolicy::GetColorMappingBar(i + 1, R, G, B);
glColor3f(R, G, B);
glVertex2d(x2, y2);// , z1);
glVertex2d(x1, y2);// , z1);
glEnd();
//to get the lable position
gluProject(x1, y1, z1, modelMatrix, projMatrix, viewport,
&winx, &winy, &winz);
lablepos[i] = winy;
//move to next
y1 = y2;
y2 = y2 + step;
}
gluProject(x1, y1, z1, modelMatrix, projMatrix, viewport,
&winx, &winy, &winz);
lablepos[i] = winy;
glMatrixMode(GL_PROJECTION);
glPopMatrix();
glMatrixMode(GL_MODELVIEW);
glPopMatrix();
/*glGetIntegerv(GL_VIEWPORT, viewport);
glDisable(GL_DEPTH_TEST);
glPushMatrix();
glMatrixMode(GL_MODELVIEW);
glLoadIdentity();
float vw = viewport[1] - viewport[0];// (SCENE->GetVolumeX1() - SCENE->GetVolumeX0());
float vh = viewport[3] - viewport[0]; // (SCENE->GetVolumeY1() - SCENE->GetVolumeY0());
float w0 = (SCENE->GetVolumeX1() - SCENE->GetVolumeX0());
float h0 = (SCENE->GetVolumeY1() - SCENE->GetVolumeY0());
double x1, y1, z1, x2, y2, z2;
int nbar = VisAtomVisualizingPolicy::GetColorMappingNumBar();
double step, hh;
if(h0>w0) hh = h0;
else hh = w0;
step = hh / (nbar - 1);
float R, G, B;
x1 = -w0*0.5;
y1 = -0.5*hh; // SCENE->GetVolumeY0();
z1 = SCENE->GetVolumeZ1();
x2 = w0*0.5;
y2 = y1 + step;
z2 = z1;
glEnable(GL_COLOR_MATERIAL);
for(int i=0; i<nbar-1; i++)
{
VisAtomVisualizingPolicy::GetColorMappingBar(i, R, G, B);
glBegin(GL_POLYGON);
glColor3f(R, G, B);
glVertex2d(x1, y1); // , z1);
glVertex2d(x2, y1); // , z1);
VisAtomVisualizingPolicy::GetColorMappingBar(i+1, R, G, B);
glColor3f(R, G, B);
glVertex2d(x2, y2); // , z1);
glVertex2d(x1, y2); // , z1);
//VisAtomVisualizingPolicy::GetColorMappingBar(i, R, G, B);
//glColor3f(R, G, B);
//glVertex3d(x1, y1, z1);
glEnd();
VisAtomVisualizingPolicy::GetColorMappingBar(i, R, G, B);
glBegin(GL_LINES);
glColor3f(R, G, B);
glVertex2d(x1 - 0.1*(x2 - x1), y1);// , z1);
glVertex2d(x2, y1); // , z1);
VisAtomVisualizingPolicy::GetColorMappingBar(i+1, R, G, B);
glColor3f(R, G, B);
glVertex2d(x2, y2);// , z1);
glVertex2d(x1 - 0.1*(x2 - x1), y2);// , z1);
glEnd();
y1 = y2;
y2 = y2 + step;
}
glPopMatrix();*/
return;
}
//*******************************************************************************
// to draw line vectors of atoms
void VisAtomSample::DrawLineVectors(int inbox)
{
if(!VisAtomVisualizingPolicy::HasVectorData()) return;
bool checkin, in;
float bx0, bx1, by0, by1, bz0, bz1;
VisAtomVisualizingPolicy::GetProjectionBox(bx0, bx1, by0, by1, bz0, bz1);
if (inbox == VisAtomVisualizingPolicy::D3_STYLE_INBOX) checkin = true;
else checkin = false;
Arrowline V=Arrowline();
glEnable(GL_COLOR_MATERIAL);
int j;
float vrad, vlenscal,arrowl, arrowr;
VisAtomVisualizingPolicy::GetVectorSize(vrad, vlenscal,arrowl, arrowr);
V.ChangeSize(arrowr);
glDisable(GL_LIGHTING);
glLineWidth(1.f);
for(j=0; j<m_numAtom; j++)
{
if(m_aVisStat[j]&atom_Statu_Visiable &&
(this->m_aGeomStyle[j] & inbox) &&
(this->m_aGeomStyle[j]&VisAtomVisualizingPolicy::VECTOR_STYLE_MASK)==VisAtomVisualizingPolicy::VECTOR_STYLE_LINE)
{
in = (bx0 <= m_aPx[j] && m_aPx[j] <= bx1) && (by0 <= m_aPy[j] && m_aPy[j] <= by1) && (bz0 <= m_aPz[j] && m_aPz[j] <= bz1);
if (in == checkin)
{
V.ResetStartPoint(m_aPx[j], m_aPy[j], m_aPz[j]);
V.ResetEndPoint(m_aPx[j] + m_vPx[j], m_aPy[j] + m_vPy[j], m_aPz[j] + m_vPz[j]);
glColor3f(m_aRed[j], m_aGreen[j], m_aBlue[j]);
glPushName(j);
V.PaintVertex();
glPopName();
}
}
}
glEnable(GL_LIGHTING);
return;
}
//*******************************************************************************
// to draw solid vectors of atoms
void VisAtomSample::DrawSolidVectors(int inbox)
{
if(!VisAtomVisualizingPolicy::HasVectorData()) return;
Style Sty;
Arrow V=Arrow();
bool checkin, in;
float bx0, bx1, by0, by1, bz0, bz1;
VisAtomVisualizingPolicy::GetProjectionBox(bx0, bx1, by0, by1, bz0, bz1);
if (inbox == VisAtomVisualizingPolicy::D3_STYLE_INBOX) checkin = true;
else checkin = false;
glEnable(GL_LIGHTING);
Sty.SolidFrontOnly();
float shine[] = {0.5f, 0.5f, 0.5f, 0.6f};
glMaterialfv(GL_FRONT, GL_SPECULAR,shine);
glMateriali(GL_FRONT,GL_SHININESS,80);
glEnable(GL_COLOR_MATERIAL);
glEnable(GL_NORMALIZE);
int j;
float vrad, vlenscal,arrowl, arrowr;
VisAtomVisualizingPolicy::GetVectorSize(vrad, vlenscal,arrowl, arrowr);
V.ChangeSize(arrowr);
for(j=0; j<m_numAtom; j++)
{
if(m_aVisStat[j]&atom_Statu_Visiable &&
(this->m_aGeomStyle[j] & inbox) &&
(this->m_aGeomStyle[j]&VisAtomVisualizingPolicy::VECTOR_STYLE_MASK)==VisAtomVisualizingPolicy::VECTOR_STYLE_SOLID)
{
in = (bx0 <= m_aPx[j] && m_aPx[j] <= bx1) && (by0 <= m_aPy[j] && m_aPy[j] <= by1) && (bz0 <= m_aPz[j] && m_aPz[j] <= bz1);
if (in == checkin)
{
V.ChangeColor(m_aRed[j], m_aGreen[j], m_aBlue[j]);
V.ResetStartPoint(m_aPx[j], m_aPy[j], m_aPz[j]);
V.ResetEndPoint(m_aPx[j] + m_vPx[j], m_aPy[j] + m_vPy[j], m_aPz[j] + m_vPz[j]);
glPushName(j);
V.Paint();
glPopName();
}
}
}
return;
}
//*******************************************************************************
// to draw atomsprojected on box side face
void VisAtomSample::DrawProjSolidAtoms(int nx, int ny, int nz)
{
if(m_numAtom <= 0) return;
glDisable(GL_DEPTH_TEST);
Style Sty=Style();
glDisable(GL_LIGHTING);
glEnable(GL_COLOR_MATERIAL);
Sty.Solid();
Circle BallsLine=Circle();
SolidCircle BallsPie=SolidCircle();
int list1 = BallsPie.MakeList();
//the face postion and rotation axsis
int i, k, tv[3], flag;
float x0, x1, y0, y1, z0, z1, fx, fy, fz, rx, ry, rz, rad, theta;
bool in;
VisAtomVisualizingPolicy::GetProjectionBox(x0, x1, y0, y1, z0, z1);
tv[0] = 1 - abs(nx);
tv[1] = 1 - abs(ny);
tv[2] = 1 - abs(nz);
fx = 0.f;
if(nx > 0) { fx = x1; rx= 0; ry = 1.f; rz = 0;theta =90.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_X1; }
else if(nx < 0) { fx = x0; rx= 0; ry =-1.f; rz = 0;theta =90.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_X0;}
fy = 0.f;
if(ny > 0) { fy = y1; rx= 1.f; ry = 0; rz = 0;theta =90.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_Y1;}
else if(ny < 0) { fy = y0; rx=-1.f; ry = 0; rz = 0;theta =90.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_Y0;}
fz = 0.f;
if(nz > 0) { fz = z1; rx= 0; ry = 0; rz = 1.f;theta =0.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_Z1;}
else if(nz < 0) { fz = z0; rx= 0; ry = 0; rz = 1.f;theta =0.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_Z0;}
for(i=0; i<m_numAtom; i++)
{
if(( this->m_aVisStat[i]&atom_Statu_Visiable) && ((this->m_aGeomStyle[i]&flag)== flag) &&
((this->m_aGeomStyle[i]&VisAtomVisualizingPolicy::SHAPE_STYLE_MASK)==VisAtomVisualizingPolicy::SHAPE_STYLE_SOLID ))
{
in = (x0 <= m_aPx[i] && m_aPx[i] <= x1) && (y0 <= m_aPy[i] && m_aPy[i] <= y1) && (z0 <= m_aPz[i] && m_aPz[i] <= z1);
if (in)
{
glPushName(i);
glPushMatrix();
glTranslatef(m_aPx[i] * tv[0] + fx * 0.99, m_aPy[i] * tv[1] + fy * 0.99, m_aPz[i] * tv[2] + fz * 0.99);
glRotatef(theta, rx, ry, rz);
//draw pie
glColor4f(m_aRed[i], m_aGreen[i], m_aBlue[i], 1.f);
glPushMatrix();
glScalef(m_aRadius[i], m_aRadius[i], m_aRadius[i]);
glCallList(list1);
glPopMatrix();
glPopMatrix();
glPopName();
}
}
}
//delete id;
glEnable(GL_LIGHTING);
glEnable(GL_DEPTH_TEST);
return;
}
//*******************************************************************************
// to draw atomsprojected on box side face
void VisAtomSample::DrawProjCirleAtoms(int nx, int ny, int nz)
{
if(m_numAtom <= 0) return;
glDisable(GL_DEPTH_TEST);
Style Sty=Style();
glDisable(GL_LIGHTING);
glEnable(GL_COLOR_MATERIAL);
Sty.Solid();
Circle BallsLine=Circle();
SolidCircle BallsPie=SolidCircle();
BallsLine.SetBorderThick(1.f);
int list1 = BallsPie.MakeList();
int list2 = BallsLine.MakeList();
//the face postion and rotation axsis
int i, k, n, NA, tv[3], flag;
float x0, x1, y0, y1, z0, z1, fx, fy, fz, rx, ry, rz, rad, theta;
bool in;
VisAtomVisualizingPolicy::GetProjectionBox(x0, x1, y0, y1, z0, z1);
tv[0] = 1 - abs(nx);
tv[1] = 1 - abs(ny);
tv[2] = 1 - abs(nz);
fx = 0.f;
if(nx > 0) { fx = x1; rx= 0; ry = 1.f; rz = 0;theta =90.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_X1; }
else if(nx < 0) { fx = x0; rx= 0; ry =-1.f; rz = 0;theta =90.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_X0;}
fy = 0.f;
if(ny > 0) { fy = y1; rx= 1.f; ry = 0; rz = 0;theta =90.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_Y1;}
else if(ny < 0) { fy = y0; rx=-1.f; ry = 0; rz = 0;theta =90.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_Y0;}
fz = 0.f;
if(nz > 0) { fz = z1; rx= 0; ry = 0; rz = 1.f;theta =0.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_Z1;}
else if(nz < 0) { fz = z0; rx= 0; ry = 0; rz = 1.f;theta =0.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_Z0;}
for(i=0; i<m_numAtom; i++)
{
if(( this->m_aVisStat[i]&atom_Statu_Visiable) && ((this->m_aGeomStyle[i]&flag)== flag) &&
(((this->m_aGeomStyle[i]&VisAtomVisualizingPolicy::SHAPE_STYLE_MASK)==VisAtomVisualizingPolicy::SHAPE_STYLE_LINE)||
((this->m_aGeomStyle[i]&VisAtomVisualizingPolicy::SHAPE_STYLE_MASK)==VisAtomVisualizingPolicy::SHAPE_STYLE_WIRE)) )
{
in = (x0 <= m_aPx[i] && m_aPx[i] <= x1) && (y0 <= m_aPy[i] && m_aPy[i] <= y1) && (z0 <= m_aPz[i] && m_aPz[i] <= z1);
if (in)
{
glPushName(i);
//draw cricles
glPushMatrix();
glTranslatef(m_aPx[i] * tv[0] + fx * 0.99, m_aPy[i] * tv[1] + fy * 0.99, m_aPz[i] * tv[2] + fz * 0.99);
glRotatef(theta, rx, ry, rz);
//draw pie
rad = this->m_aRadius[i] * 0.98;
glPushMatrix();
glScalef(rad, rad, rad);
if ((this->m_aGeomStyle[i] & VisAtomVisualizingPolicy::SHAPE_STYLE_MASK) == VisAtomVisualizingPolicy::SHAPE_STYLE_LINE)
glColor3f(1.f, 1.f, 1.f);
else
glColor3f(m_aRed[i], m_aGreen[i], m_aBlue[i]);
glCallList(list1);
glPopMatrix();
//draw edge
glPushMatrix();
glScalef(rad, rad, rad);
if ((this->m_aGeomStyle[i] & VisAtomVisualizingPolicy::SHAPE_STYLE_MASK) == VisAtomVisualizingPolicy::SHAPE_STYLE_LINE)
glColor3f(m_aRed[i], m_aGreen[i], m_aBlue[i]);
else
glColor3f(m_aRedex[i], m_aGreenex[i], m_aBlueex[i]);
glCallList(list2);
glPopMatrix();
glPopMatrix();
glPopName();
}
}
}
//delete id;
glEnable(GL_LIGHTING);
glEnable(GL_DEPTH_TEST);
return;
}
//*******************************************************************************
// to draw atomsprojected on box side face
void VisAtomSample::DrawProjDotAtoms(int nx, int ny, int nz)
{
if(m_numAtom <= 0) return;
glDisable(GL_DEPTH_TEST);
glDisable(GL_LIGHTING);
glEnable(GL_COLOR_MATERIAL);
//the face postion and rotation axsis
int i, k, tv[3], flag;
float x0, x1, y0, y1, z0, z1, fx, fy, fz, rx, ry, rz, theta;
bool in;
VisAtomVisualizingPolicy::GetProjectionBox(x0, x1, y0, y1, z0, z1);
tv[0] = 1 - abs(nx);
tv[1] = 1 - abs(ny);
tv[2] = 1 - abs(nz);
fx = 0.f;
if(nx > 0) { fx = x1; rx= 0; ry = 1.f; rz = 0;theta =90.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_X1; }
else if(nx < 0) { fx = x0; rx= 0; ry =-1.f; rz = 0;theta =90.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_X0;}
fy = 0.f;
if(ny > 0) { fy = y1; rx= 1.f; ry = 0; rz = 0;theta =90.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_Y1;}
else if(ny < 0) { fy = y0; rx=-1.f; ry = 0; rz = 0;theta =90.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_Y0;}
fz = 0.f;
if(nz > 0) { fz = z1; rx= 0; ry = 0; rz = 1.f;theta =0.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_Z1;}
else if(nz < 0) { fz = z0; rx= 0; ry = 0; rz = 1.f;theta =0.f; flag = VisAtomVisualizingPolicy::PROJECTION_STYLE_Z0;}
for(i=0; i<m_numAtom; i++)
{
if(( this->m_aVisStat[i]&atom_Statu_Visiable) && ((this->m_aGeomStyle[i]&flag)== flag) &&
(this->m_aGeomStyle[i]&VisAtomVisualizingPolicy::SHAPE_STYLE_MASK)==VisAtomVisualizingPolicy::SHAPE_STYLE_DOT)
{
in = (x0 <= m_aPx[i] && m_aPx[i] <= x1) && (y0 <= m_aPy[i] && m_aPy[i] <= y1) && (z0 <= m_aPz[i] && m_aPz[i] <= z1);
if (in)
{
glColor4f(this->m_aRed[i], this->m_aGreen[i], this->m_aBlue[i], 1.f);
glPushName(i);
glBegin(GL_POINTS);
glVertex3f(m_aPx[i] * tv[0] + fx * 0.99, m_aPy[i] * tv[1] + fy * 0.99, m_aPz[i] * tv[2] + fz * 0.99);
glEnd();
glPopName();
}
}
}
//delete id;
glEnable(GL_LIGHTING);
glEnable(GL_DEPTH_TEST);
return;
}
//To get the ID of current picked atom (in current sample)
int VisAtomSample::GetCurAtom()
{
return m_pickedAtomID;
}
//To set the atom id as current picked atom (in current sample)
void VisAtomSample::SetCurAtom(int id)
{
if(id > m_numAtom) return;
m_pickedAtomID = id;
}
//To get the type of current picked atom (in current sample)
int VisAtomSample::GetTypeofCurAtom()
{
if(m_pickedAtomID <= 0) return -1;
return m_aType[m_pickedAtomID-1];
}
//To get the X coordinate of current picked atom (in current sample)
float VisAtomSample::GetXofCurAtom()
{
if(m_pickedAtomID <=0) return -(float)1.E38;
return m_aPx[m_pickedAtomID-1];