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import javax.swing.JPanel;
import java.awt.Color;
import java.awt.Graphics;
import java.awt.Image;
import java.awt.BasicStroke;
import java.awt.Graphics2D;
import java.awt.RenderingHints;
import java.awt.Font;
import java.awt.event.MouseEvent;
import java.awt.event.KeyEvent;
import java.awt.event.MouseListener;
import java.awt.event.MouseMotionListener;
import java.awt.event.KeyListener;
public class Mira3D extends JPanel implements MouseListener, MouseMotionListener, KeyListener
{
Image Buffer;
Graphics BuffGr;
int Ox, Oy, Nx, Ny, Ax, Ay, Sx, Sy;
int nr, nr2;
int biasx, biasy;
double lr;
pto3D versorx, versory, versorz;
BasicStroke fino, gros, line;
double escala;
double dim = 0;
int morden[][] = new int[6000][200];
Minimol mmol, mmolg; //La molecula en si y la que gira, que es la que se visualiza
boolean pintado = true;
boolean autocon = true;
boolean bst = false; //pintar bolas
boolean atn = false; //poner numeros
boolean hbk = false; //esconder parte atras
boolean abt = false; //about
boolean hlp = false; //miniayuda
boolean ini = true; //minicadena sugiriendo la ayuda
boolean lrd = false; //Low Requirement Display
boolean lrdf = false; //lrd fijo
int nselec = 0; //numero de atomos selecionados
int selec[]; //array de cuatro numeros, que son los que se han seleccionado
int anchomed = 0, altomed = 0; //Anchura y altura entre dos
public Mira3D ()
{
addMouseMotionListener (this);
addMouseListener (this);
addKeyListener (this);
mmol = new Minimol (0);
mmolg = new Minimol (0);
resetea ();
} //Constructor
public void cargarMol (MoleculaT m)
{
mmol = new Minimol (m); //Cuando cargo la mol, solo giro mmolg
mmolg = new Minimol (m); //lo demas se mira en mmol
resetea ();
}
public void paint (Graphics g)
{
//GROSOR DE Trazos
double grosor0 = 0.1f * (float) escala; //FINO, 0.1 Angs
double grosor2 = grosor0 * 1.25; //Medio 0.125 Angs
double grosor = grosor0 * 2.5; //Entero 0.25
int grint0 = (int) grosor0;
int grint2 = (int) grosor2;
int grint = (int) grosor;
fino = new BasicStroke (grint0, 0, 1); //cap_butt, uniones round
gros = new BasicStroke (grint, 0, 1);
line = new BasicStroke (1, 0, 1);
Graphics2D g2 = (Graphics2D) g;
g2.setRenderingHint (RenderingHints.KEY_ANTIALIASING, RenderingHints.VALUE_ANTIALIAS_ON);
g2.setColor (java.awt.Color.white);
g2.fillRect (0, 0, getSize ().width, getSize ().height); // blanqueamos
//antes de cada pintado, clasificamos los atomos por su posicion, en un array con el doble de rodajas que angstroms tenga de
// longitud la molecula pillamos la longitud, que es dim
int nplanos = (int) (4 * dim);
if (!lrd) //solo con display normal
{ //reiniciamos la matriz de orden mo[6000][2000]
for (int i = 1; i <= nplanos; i++)
morden[i][0] = 0;
//calculamos la matriz de orden
for (int i = 0; i < mmolg.nvert; i++) {
int indice = (int) (2 * (dim + mmolg.miniverts[i].z)); //multiplicamos por 2, para duplicar el numero de rodajas por angstrom.
morden[indice][0]++;
morden[indice][morden[indice][0]] = i;
}} else
g2.setColor (java.awt.Color.red);
//pintamos plano a plano
int planoini = nplanos;
if (hbk)
planoini = (int) (nplanos / 2);
if (!lrd) {
for (int i = planoini; i >= 1; i--) {
//pintamos conectividades
for (int j = 1; j <= morden[i][0]; j++) {
int ii = morden[i][j]; //ii marca el atomo j del plano i
int nconect = mmolg.miniconec[ii][0]; //vemos en numero de vecinos del atomo ii
pto3D v = mmolg.miniverts[ii];
Color c = mmolg.minicolor[ii];
int x = (int) (anchomed + (int) (v.x * escala)); //vemos la posicion de ii en el canvas
int y = (int) (altomed + (int) (v.y * escala));
int r = (int) (escala * mmolg.minisizes[ii] / 4.0) + 2; //su tamaño
if (autocon)
g2.setColor (mmolg.minicolor[ii]);
else
g2.setColor (Color.black);
for (int k = 1; k <= nconect; k++) {
pto3D w = null;
if (autocon)
w = mmolg.miniverts[mmolg.miniconec[ii]
[k]].clona ();
else
w = mmolg.miniverts[mmolg.miniconec[ii][k]].clona (); //Conectividad alternativa
//vemos la posicion de ii en el canvas. nos interesa el punto medio entre atomo actual (atomo ii)
pto3D vw = v.mas (w).escala (0.5);
int xw = (int) (anchomed + (int) (vw.x * escala));
int yw = (int) (altomed + (int) (vw.y * escala));
//pintamos el enlace. La idea es hacerlo hasta la mitad para que cada parte tenga su color
g2.setStroke (gros);
g2.drawLine (biasx + x, biasy + y, biasx + xw, biasy + yw);
}
//Fin de cadauna de las conectividades. Seguimos en el atomo del plano
//Pintamos el atomo, primero vemos si esta seleccionado
if (autocon) {
if (mmol.selecstatus (ii) == 1) {
g2.setColor (mmol.minicolor[ii].darker ());
g2.fillOval (biasx + x - r - 3, biasy + y - r - 3, 2 * r + 6, 2 * r + 6);
} else if (mmol.selecstatus (ii) == 2) {
g2.setColor (Color.black);
g2.fillOval (biasx + x - r - 3, biasy + y - r - 3, 2 * r + 6, 2 * r + 6);
} else {
if (mmol.selecstatus (ii)
== 1) {
g2.setColor (Color.black);
g2.fillOval (biasx + x - r - 3, biasy + y - r - 3, 2 * r + 6, 2 * r + 6);
} else if (mmol.selecstatus (ii) == 2) {
g2.setColor (Color.black);
g2.fillOval (biasx + x - r - 3, biasy + y - r - 3, 2 * r + 6, 2 * r + 6);
}
}
g2.setColor (mmol.minicolor[ii]);
} else
g2.setColor (Color.white);
if (bst)
g2.fillOval (biasx + x - r, biasy + y - r, 2 * r, 2 * r);
else {
if (atn) {
g2.setColor (Color.white);
g2.fillOval (biasx + x - r, biasy + y - r, 2 * r, 2 * r);
} else if (nconect == 0)
g2.fillOval (biasx + x - grint2, biasy + y - grint2, grint, grint);
}
int rl = (int) (r * 1.2); //Rl es el radio donde se inscribiran las letras, que debe ser un poquito mayor que r
if (atn) {
if (bst)
g2.setColor (Color.white);
else
g2.setColor (Color.black);
int pj = (int) (0.85 * rl / mmol.minietiqs[ii].trim ().length ()); //
//el punteaje tiene que ser menor que esto
g2.setFont (new Font ("Courier", Font.BOLD, 2 * pj));
g2.drawString (mmol.minietiqs[ii].trim ().toUpperCase (), biasx + x - rl / 2, biasy + y + rl / 2);
}
} //Fin atomo
} //Fin plano
} else {
for (int i = 0; i < mmol.nvert; i++) {
int x = (int) (anchomed + (int) (mmolg.miniverts[i].x * escala));
int y = (int) (altomed + (int) (mmolg.miniverts[i].y * escala));
g2.fillRect (biasx + x - 1, biasy + y - 1, 2, 2);
}
}
//Comienzo cadenas informativas
g2.setColor (java.awt.Color.black);
g2.setFont (new Font ("Arial", Font.ITALIC, 12));
g2.drawString (mmol.nvert + " atoms, " + nselec + " selected.", 10, 17);
formato forma = new formato (7, "##0.###");
g2.setFont (new Font ("Arial", Font.ITALIC, 10));
if (nselec == 1) {
pto3D v = mmol.miniverts[selec[1]];
g2.drawString ("Atom " + selec[1] + " at " + v.aTexto (), 10, getHeight () - 10);
} else if (nselec == 2) {
pto3D v = mmol.miniverts[selec[1]];
pto3D w = mmol.miniverts[selec[2]];
g2.drawString ("" + selec[1] + "-" + selec[2] + " distance = " + forma.aCadena (v.dista (w)), 10, getHeight () - 10);
} else if (nselec == 3) {
pto3D v = mmol.miniverts[selec[1]];
pto3D w = mmol.miniverts[selec[2]];
pto3D u = mmol.miniverts[selec[3]];
g2.drawString ("" + selec[1] + "-" + selec[2] + "-" +
selec[3] + " angle = " + forma.aCadena (u.menos (w).angulocong (v.menos (w))), 10, getHeight () - 10);
} else if (nselec == 4) {
pto3D v = mmol.miniverts[selec[1]];
pto3D w = mmol.miniverts[selec[2]];
pto3D u = mmol.miniverts[selec[3]];
pto3D s = mmol.miniverts[selec[4]];
pto3D a = v.menos (w);
pto3D b = w.menos (u);
pto3D c = s.menos (u);
g2.drawString ("" + selec[1] + "-" + selec[2] + "-" +
selec[3] + "-" + selec[4] + " dihedral = " + forma.aCadena (a.dihedrog (b, c)), 10, getHeight () - 10);
}
else {
}
//los ejes de coordenadas, en una esquinita
int vxx = (int) (40 + (int) (versorx.x * 30));
int vxy = (int) (40 + (int) (versorx.y * 30));
int vyx = (int) (40 + (int) (versory.x * 30));
int vyy = (int) (40 + (int) (versory.y * 30));
int vzx = (int) (40 + (int) (versorz.x * 30));
int vzy = (int) (40 + (int) (versorz.y * 30));
g2.setStroke (line);
g2.drawLine (40, 40, vxx, vxy);
g2.drawLine (40, 40, vyx, vyy);
g2.drawLine (40, 40, vzx, vzy);
g2.drawString ("x", vxx + 2, vxy - 1);
g2.drawString ("y", vyx + 2, vyy - 1);
g2.drawString ("z", vzx + 2, vzy - 1);
setPainted ();
}
public synchronized void setPainted ()
{
pintado = true;
notifyAll ();
}
public void mousePressed (MouseEvent ev)
{
Ox = ev.getX ();
Oy = ev.getY ();
}
public void mouseMoved (MouseEvent ev)
{
}
public void mouseClicked (MouseEvent ev)
{
//METODOS DEL EDITOR; QUE MUESTRA DISTANCIAS Y ANGULOS
nselec++;
if (nselec == 5) {
deselec ();
} else {
Sx = ev.getX ();
Sy = ev.getY ();
double dista = 400; //la distancia en pixeles tiene que ser menor que este valor
int prox = 0;
for (int i = 0; i < mmol.nvert; i++) {
pto3D v = mmolg.miniverts[i];
int px = (int) (biasx + getWidth () / 2 + v.x * escala);
int py = (int) (biasy + getHeight () / 2 + v.y * escala);
double dist = Math.sqrt ((Sx - px) * (Sx - px) + (Sy - py) * (Sy - py));
if (dist < dista) {
dista = dist;
prox = i;
}
}
this.selec[nselec] = prox;
if (ev.getButton () == 1)
mmol.selecciona (prox, 1);
else if (ev.getButton () == 3)
deselec ();
}
this.repaint ();
}
public void mouseReleased (MouseEvent ev)
{
if (!lrdf)
lrd = false;
else
lrd = true;
repaint ();
}
public void mouseEntered (MouseEvent ev)
{
requestFocus ();
}
public void mouseExited (MouseEvent ev)
{
}
public void keyTyped (KeyEvent ev)
{
}
public void keyPressed (KeyEvent ev)
{
int kc = ev.getKeyCode ();
if (kc == 32) {
resetea ();
this.repaint ();
} //Espacio
else if (kc == 33) {
if (escala < 200)
escala *= 1.2;;
this.repaint ();
} //Re Zoom +10%
else if (kc == 34) {
if (escala > 2)
escala *= 0.8;;
this.repaint ();
} //Av Zoom -10%
else if (kc == 38) {
biasy -= 20;
this.repaint ();
} //ARR
else if (kc == 39) {
biasx += 20;
this.repaint ();
} else if (kc == 40) {
biasy += 20;
this.repaint ();
} else if (kc == 72) {
if (this.hlp == true)
this.hlp = false;
else
this.hlp = true;
this.repaint ();
} //H para ayuda
else if (kc == 66) {
if (this.bst == true)
this.bst = false;
else
this.bst = true;
this.repaint ();
} //B para Ball
else if (kc == 76) {
if (this.atn == true)
this.atn = false;
else
this.atn = true;
this.repaint ();
} //L para labels
else if (kc == 67) {
if (this.hbk == true)
this.hbk = false;
else
this.hbk = true;
this.repaint ();
} //C para corte
else if (kc == 65) {
if (this.abt == true)
this.abt = false;
else
this.abt = true;
this.repaint ();
} //A para about
else if (kc == 82) {
if (this.lrd == true) {
this.lrd = false;
this.repaint ();
this.lrd = true;
}
} // R para Render temporal
else if (kc == 37) {
biasx -= 20;
this.repaint ();
} else if (kc == 37) {
biasx -= 20;
this.repaint ();
} else if (kc == 37) {
biasx -= 20;
this.repaint ();
} else if (kc == 10) {
this.repaint ();
} //enter
else {
}
}
public void resetea ()
{ //Molecula
mmolg = mmol.clona ();
if (mmol.nvert > 6000)
lrdf = true;
else
lrdf = false;
//Seleccion
selec = new int[5];
nselec = 0;
this.deselec ();
//ESCALA
anchomed = getWidth () / 2;
altomed = getHeight () / 2;
double d = mmolg.getDim () + 3;
dim = mmolg.getLejania () + 1;
escala = getWidth () / d; //pixeles/angstrom
//versores
versorx = new pto3D (1, 0, 0);
versory = new pto3D (0, 1, 0);
versorz = new pto3D (0, 0, 1);
//Trazos
double grosor = 0.1f * (float) escala; //0.1 Angs
double grosor2 = grosor * 2.0; //0.2 Amgs
double grosor3 = grosor * 2.5; // Cuarto de Angstrom
int grint = (int) grosor;
int grint2 = (int) grosor2;
int grint3 = (int) grosor3;
gros = new BasicStroke (grint, 0, 1); //cap_butt, uniones round
fino = new BasicStroke (grint2, 0, 1);
line = new BasicStroke (1, 0, 1);
//BIASES
biasx = 0;
biasy = 0;
}
public void keyReleased (KeyEvent ev)
{
}
public void mouseDragged (MouseEvent ev)
{
if (pintado == true) //en cuanto arrastro, mido donde estoy
{
pintado = false;
Nx = ev.getX ();
Ny = ev.getY (); //Cojo las nuevas posiciones cartesianas
Ax = Nx - Ox; // las comparo con las antiguas
Ay = Ny - Oy;
double thx = (double) (-360 * (Ax) / getWidth ());
double thy = (double) (-360 * (Ay) / getHeight ());
mmolg.giroy (thx);
mmolg.girox (thy);
versorx.giroyg (thx);
versorx.giroxg (thy);
versory.giroyg (thx);
versory.giroxg (thy);
versorz.giroyg (thx);
versorz.giroxg (thy);
if (mmol.nvert > 800)
lrd = true;
else
lrd = false;
repaint ();
Ox = Nx;
Oy = Ny; //una vez usadas, ya son las antiguas
setPainted ();
}
}
void deselec ()
{
this.nselec = 0;
selec[1] = 0;
selec[2] = 0;
selec[3] = 0;
selec[4] = 0;
nselec = 0;
mmol.deselecciona ();
}
public void repinta (boolean b, boolean a, boolean h)
{
if (b)
this.bst = true;
else
this.bst = false;
if (a)
this.atn = true;
else
this.atn = false;
if (h)
this.hbk = true;
else
this.hbk = false;
this.repaint ();
}
public void pintaCon ()
{
autocon = true;
repaint ();
}
public void pintaAlt ()
{
autocon = false;
repaint ();
}
public void setlrd ()
{
this.lrd = true;
return;
}
public void unsetlrd ()
{
this.lrd = false;
return;
}
public void setatn ()
{
this.atn = true;
return;
}
public void unsetatn ()
{
this.atn = false;
return;
}
public void sethbk ()
{
this.hbk = true;
return;
}
public void unsethbk ()
{
this.hbk = false;
return;
}
public void setbst ()
{
this.bst = true;
return;
}
public void unsetbst ()
{
this.bst = false;
return;
}
}
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