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// Copyright 2006-2007 Nanorex, Inc. See LICENSE file for details.
/* $Id$ */
/*
* This is a C++ version of Java's AtomList class.
*/
#include <iostream>
#include <assert.h>
#include "AtomList.h"
AtomList::AtomList(void)
{
_size = 0;
capacity = 20;
contents = new Atomo[capacity];
}
AtomList::AtomList(int n)
{
_size = 0;
if (n < 20)
n = 20;
capacity = n;
contents = new Atomo[n];
}
AtomList::~AtomList(void)
{
//delete[] contents;
}
Atomo * AtomList::get(int i)
{
return &contents[i];
}
void AtomList::add(Atomo a)
{
if (_size + 1 > capacity) {
Atomo *newcontents;
capacity *= 2;
newcontents = new Atomo[capacity];
for (int i = 0; i < _size; i++)
newcontents[i] = contents[i];
// delete[] contents;
contents = newcontents;
}
contents[_size++] = a;
}
int AtomList::size(void)
{
return _size;
}
void AtomList::remove(int i)
{
assert(i < _size);
while (i + 1 < _size) {
contents[i] = contents[i + 1];
i++;
}
_size--;
}
void AtomList::set(int i, Atomo a)
{
contents[i] = a;
}
int AtomList::contains(Atomo a)
{
for (int i = 0; i < _size; i++) {
assert(a.index != -1);
assert(contents[i].index != -1);
if (a.index == contents[i].index)
return 1;
}
return 0;
}
/*
* There is a very effective optimization that can be used
* for neighborhoods. I am not doing it here until I think
* we need it, because it's a bit of work. As you add atoms
* to the AtomList, you save a pointer to them in one of several
* lists, pre-sorting atoms by coarse position. Doing so is
* very quick. Then when you want the neighborhood around an
* atom, you need only search the nearby buckets.
*/
#define GAP (1.5 * 1.42)
int closeEnough(Atomo *a1, Atomo *a2)
{
double distx = a1->vert.x - a2->vert.x;
if (distx < -GAP || distx > GAP)
return 0;
double disty = a1->vert.y - a2->vert.y;
if (disty < -GAP || disty > GAP)
return 0;
double distz = a1->vert.z - a2->vert.z;
if (distz < -GAP || distz > GAP)
return 0;
double distsq = distx * distx + disty * disty +
distz * distz;
return distsq < GAP * GAP;
}
AtomList AtomList::neighborhood(Atomo *a)
{
AtomList al = AtomList();
for (int i = 0; i < _size; i++) {
Atomo *b = &contents[i];
if (closeEnough(a, b))
al.add(*b);
}
return al;
}
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