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<?php
//
// +----------------------------------------------------------------------+
// | PHP Version 4 |
// +----------------------------------------------------------------------+
// | Copyright (c) 1997-2003 The PHP Group |
// +----------------------------------------------------------------------+
// | This source file is subject to version 2.0 of the PHP license, |
// | that is bundled with this package in the file LICENSE, and is |
// | available at through the world-wide-web at |
// | http://www.php.net/license/2_02.txt. |
// | If you did not receive a copy of the PHP license and are unable to |
// | obtain it through the world-wide-web, please send a note to |
// | license@php.net so we can mail you a copy immediately. |
// +----------------------------------------------------------------------+
// | Authors: Jesus M. Castagnetto <jmcastagnetto@php.net> |
// +----------------------------------------------------------------------+
//
// $Id$
//
/**
* Utility class for defining 3D coordinates and
* its associated distance() method
*
* @author Jesus M. Castagnetto <jmcastagnetto@php.net>
* @version 1.0
* @access public
* @package Science_Chemistry
*/
class Science_Chemistry_Coordinates {
/**
* Array of tridimensional coordinates: (x, y, z)
*
* @var array
* @access private
*/
var $coords;
/**
* Constructor for the class, returns null if parameter is
* not an array with 3 entries
*
* @param array $coords array of three floats (x, y, z)
* @return object Science_Chemistry_Coordinates
* @access public
*/
function Science_Chemistry_Coordinates($coords) {
if (is_array($coords) && count($coords) == 3)
$this->coords = $coords;
else
return null;
}
/**
* Cartesian distance calculation method
*
* @param object Science_Chemistry_Coordinates $coord
* @return float distance
* @access public
*/
function distance($coord) {
if (Science_Chemistry_Coordinates::areCoordinates($coord)) {
$xyz2 = $coord->getCoordinates();
$sum2 = 0;
for ($i=0; $i<count($xyz2); $i++) {
$sum2 += pow(($xyz2[$i] - $this->coords[$i]),2);
}
return sqrt($sum2);
}
}
/**
* Checks if the object is an instance of Science_Chemistry_Coordinates
*
* @param object Science_Chemistry_Coordinates $obj
* @return boolean
* @access public
*/
function areCoordinates($obj) {
return ( is_object($obj) &&
(strtolower(strtolower(get_class($obj))) == strtolower("Science_Chemistry_Coordinates")
|| is_subclass_of($obj, strtolower("Science_Chemistry_Coordinates")))
);
}
/**
* Returns the array of coordinates
*
* @return array array (x, y, z)
* @access public
*/
function getCoordinates() {
if (is_array($this->coords) && !empty($this->coords))
return $this->coords;
}
/**
* Returns a string representation of the coordinates: x y z
*
* @return string
* @access public
*/
function toString() {
for ($i=0; $i<count($this->coords); $i++)
$tmp[$i] = sprintf("%10.4f",$this->coords[$i]);
return implode(" ",$tmp);
}
/**
* Returns a CML representation of the coordinates
*
* @return string
* @access public
*/
function toCML() {
$out = "<coordinate3 builtin=\"xyz3\">";
$tmp = array();
for ($i=0; $i < count($this->coords); $i++)
$tmp[] = trim(sprintf("%10.4f", $this->coords[$i]));
$out .= implode(" ",$tmp)."</coordinate3>\n";
return $out;
}
} // end of class Science_Chemistry_Coordinates
// vim: expandtab: ts=4: sw=4
?>
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