Raport de cercetare - Lorentz JÄNTSCHI

}
function create_index(){
for($i=0;$in;$i++){
$this->index[$i]=$this->atom[$i][0];
}
}
function create_topology(){
$this->m=0;
for($i=0;$in;$i++){
//$this->index[$i]=$this->atom[$i][0];
$label[$this->atom[$i][0]]=$i;
$this->topology["count"][$i]=$this->atom[$i][6];
$this->m+=$this->topology["count"][$i];
}
$this->m/=2;
for($i=0;$in;$i++){
for($j=0;$jtopology["count"][$i];$j++){
$this->topology["edges"][$i][$j]=$label[$this->atom[$i][7+2*$j]];
}
}
}
function create_chemistry(&$a){
for($i=0;$in;$i++){
$this->chemstry[$i]=strtoupper($this->atom[$i][1]);
$this->property["mass"][$i]=$a->mass[$this->chemstry[$i]];//M
$this->property["elng"][$i]=$a->elng[$this->chemstry[$i]];//E
$this->property["melt"][$i]=$a->melt[$this->chemstry[$i]];//L
$this->property["elaf"][$i]=$a->elaf[$this->chemstry[$i]];//A
$this->property["char"][$i]=$this->atom[$i][5];//Q
$this->property["prot"][$i]=$this->proton[$i];//H
$this->property["card"][$i]=1;//1
$this->geometry["x"][$i]=$this->atom[$i][2];
$this->geometry["y"][$i]=$this->atom[$i][3];
$this->geometry["z"][$i]=$this->atom[$i][4];
}
unset($this->index);
unset($this->proton);
unset($this->chemstry);
unset($this->atom);
}
function tmp_edve_cut($v){
for($i=0;$itopology["count"][$v];$i++){
for($j=0;$jtopology["count"][$this->tmp_edge[$v][$i]];$j++){
if($this->tmp_edge[$this->tmp_edge[$v][$i]][$j]==$v){
unset($this->tmp_edge[$this->tmp_edge[$v][$i]][$j]);
break;
}
}
}
unset($this->tmp_edge[$v]);
}
function tmp_vert_cut($v){
unset($this->tmp_edge[$v]);
}
function tmp_edge_cut($v1,$v2){
for($j=0;$jtopology["count"][$v1];$j++){
if($this->tmp_edge[$v1][$j]==$v2){
unset($this->tmp_edge[$v1][$j]);
$this->tmp_edge[$v1]=array_values($this->tmp_edge[$v1]);
break;
}
}
for($j=0;$jtopology["count"][$v2];$j++){
if($this->tmp_edge[$v2][$j]==$v1){
unset($this->tmp_edge[$v2][$j]);
$this->tmp_edge[$v2]=array_values($this->tmp_edge[$v2]);
break;
}
}
}
function create_matrix_distance(&$edges = NULL){
if($edges==NULL){
$edges=&$this->topology["edges"];
$this->distance["t"]=array();
$mat_a=&$this->distance["t"];
for($i=0;$in;$i++){
$this->distance["g"][$i][$i]=0;
$this->distance["v"][$i][$i]=array(1,1,1);
for($j=$i+1;$jn;$j++){
178