| // +----------------------------------------------------------------------+ // // $Id$ // /** * Utility class for defining 3D coordinates and * its associated distance() method * * @author Jesus M. Castagnetto * @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; $icoords[$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; $icoords); $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 = ""; $tmp = array(); for ($i=0; $i < count($this->coords); $i++) $tmp[] = trim(sprintf("%10.4f", $this->coords[$i])); $out .= implode(" ",$tmp)."\n"; return $out; } } // end of class Science_Chemistry_Coordinates // vim: expandtab: ts=4: sw=4 ?>