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// Copyright 2006-2007 Nanorex, Inc. See LICENSE file for details.
/* $Id$ */
#include <math.h>
#include "Minimol.h"
void Minimol::vaciar ()
{
}
//void deseleccionar(){for (int i = 0; i<susatomos.size();i++) ((Atomo)susatomos.get(i)).selec=0; nselec=0;}
//HABRIA QUE PONER HERRAMIENTAS DE SELECCIONADO
void Minimol::girox (double th)
{
for (int i = 0; i < nvert; i++) {
float ct = (float) cos (th / 180 * M_PI);
float st = (float) sin (th / 180 * M_PI);
miniverts[i].rgirox (ct, st);
}
}
void Minimol::giroy (double th)
{
for (int i = 0; i < nvert; i++) {
float ct = (float) cos (th / 180 * M_PI);
float st = (float) sin (th / 180 * M_PI);
miniverts[i].rgiroy (ct, st);
}
}
void Minimol::giroz (double th)
{
for (int i = 0; i < nvert; i++) {
float ct = (float) cos (th / 180 * M_PI);
float st = (float) sin (th / 180 * M_PI);
miniverts[i].rgiroz (ct, st);
}
}
double Minimol::getDim ()
{
double Dim = 0.01;
for (int i = 0; i < nvert; i++) {
for (int j = i + 1; j < nvert; j++) {
pto3D v = miniverts[i];
pto3D w = miniverts[j];
double dist = v.dista (w);
if (dist > Dim)
Dim = dist;
}
}
return Dim;
}
double Minimol::distancia (int a, int b)
{
pto3D v = miniverts[a];
pto3D w = miniverts[b];
return v.dista (w);
}
double Minimol::angulo (int a, int b, int c) //OJO EN GRADOS
{
pto3D v = miniverts[a];
pto3D w = miniverts[b];
pto3D u = miniverts[c];
return u.menos (w).angulocong (v.menos (w));
}
double Minimol::dihedro (int a, int b, int c, int d)
{
pto3D v = miniverts[a];
pto3D w = miniverts[b];
pto3D u = miniverts[c];
pto3D s = miniverts[d];
pto3D v1 = v.menos (w);
pto3D v2 = w.menos (u);
pto3D v3 = s.menos (u);
return v1.dihedrog (v2, v3);
} //OJO EN GRADOS
int Minimol::selecstatus (int i)
{
return miniselec[i];
}
void Minimol::selecciona (int i, int status)
{
miniselec[i] = status;
}
void Minimol::deselecciona ()
{
for (int i = 0; i < nvert; i++)
miniselec[i] = 0;
}
Minimol Minimol::clona ()
{
Minimol mmn = Minimol (nvert);
for (int i = 0; i < nvert; i++) {
mmn.miniverts[i] = miniverts[i].clona ();
mmn.minietiqs[i] = minietiqs[i];
mmn.miniperss[i] = miniperss[i];
mmn.minisizes[i] = minisizes[i];
mmn.miniselec[i] = miniselec[i];
for (int j = 0; j < 10; j++)
mmn.miniconec[i][j] = miniconec[i][j];
}
return mmn;
}
double Minimol::getLejania ()
{
double lej = 0;
if (nvert == 1)
return 0;
for (int i = 0; i < nvert; i++) {
pto3D v = miniverts[i];
pto3D c = pto3D (0, 0, 0);
double dist = v.dista (c);
if (dist > lej)
lej = dist;
}
return lej;
}
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