[line 41]
[line 50]
object Science_Chemistry_Molecule Science_Chemistry_Molecule( string $name, [optional $atoms = ""])
boolean addAtom( object Science_Chemistry_Atom $atom)
boolean calcConnectionTable( )
boolean calcDistanceMatrix( )
array getAtoms( )
float getBondCutoff( )
array getConnectionTable( )
array getDistanceMatrix( )
boolean initMolecule( array $atoms)
boolean isMolecule( object Science_Chemistry_Molecule $obj)
boolean printConnectionTable( )
string printDistanceMatrix( )
boolean setBondCutoff( float $cutoff)
string toCML( [optional $title = "molecule"], [optional $id = "mol1"], [ $connect = false])
string toString( )
Overridden in child classes as:
string toXYZ( )