elements(3)
NAME
Chemistry::Elements - Perl extension for working with
Chemical Elements
SYNOPSIS
use Chemistry::Elements qw(get_name get_Z get_symbol);
# the constructor can use different input
$element = new Chemistry::Elements $atomic_number;
$element = new Chemistry::Elements $chemical_symbol;
$element = new Chemistry::Elements $element_name;
# you can make up your own attributes by specifying
# a method (which is really AUTOLOAD)
$element->molar_mass(22.989) #sets the attribute
$MM = $element->molar_mass #retrieves the value
DESCRIPTION
There are two parts to the module: the object stuff and
the exportable functions for use outside of the object
stuff. The exportable functions are discussed in
EXPORTABLE FUNCTIONS.
Chemistry::Elements provides an easy, object-oriented way
to keep track of your chemical data. Using either the
atomic number, chemical symbol, or element name you can
construct an Element object. Once you have an element
object, you can associate your data with the object by
making up your own methods, which the AUTOLOAD function
handles. Since each chemist is likely to want to use his
or her own data, or data for some unforesee-able property,
this module does not try to be a repository for chemical
data.
- The Element object constructor tries to be as flexible as
possible - pass it an atomic number, chemical symbol, or
element name and it tries to create the object. - # the constructor can use different input
$element = new Chemistry::Elements $atomic_number;
$element = new Chemistry::Elements $chemical_symbol;
$element = new Chemistry::Elements $element_name; - once you have the object, you can define your own methods
simply by using them. Giving the method an argument (oth
ers will be ignored) creates an attribute with the
method's name and the argument's value.
# you can make up your own attributes by specifying
# a method (which is really AUTOLOAD)$element->molar_mass(22.989) #sets the attribute- $MM = $element->molar_mass #retrieves the value
- The atomic number, chemical symbol, and element name can
be retrieved in the same way.
$atomic_number = $element->Z;
$name = $element->name;
$symbol = $element->symbol;- These methods can also be used to set values, although
changing any of the three affects the other two.
$element = new Chemistry::Elements('Lead');- $atomic_number = $element->Z; # $atomic_number is 82
- $element->Z(79);
- $name = $element->name; # $name is 'Gold'
EXPORTABLE FUNCTIONS
These functions can be exported. They are not exported by
default.
get_symbol()
- This function attempts to return the symbol of the chemi
cal element given either the chemical symbol, element
name, or atmoic number. The function does its best to
interpret inconsistent input data (e.g. chemcial symbols
of mixed and single case). - use Chemistry::Elements qw(get_symbol);
- $name = get_symbol('Fe'); #$name is 'Fe'
$name = get_symbol('fe'); #$name is 'Fe'
$name = get_symbol(26); #$name is 'Fe'
$name = get_symbol('Iron'); #$name is 'Fe'
$name = get_symbol('iron'); #$name is 'Fe' - If no symbol can be found, nothing is returned.
- Since this function will return the symbol if it is given
a symbol, you can use it to test whether a string is a
chemical symbol (although you have to play some tricks
with case since get_symbol will try its best despite the
case of the input data).
if( lc($string) eq lc( get_symbol($string) ) ){
#stuff
}- You can modify the symbols (e.g. you work for UCal ;) ) by
changing the data at the end of this module. - get_name()
- This function attempts to return the name the chemical
element given either the chemical symbol, element name, or
atomic number. The function does its best to interpret
inconsistent input data (e.g. chemcial symbols of mixed
and single case).
$name = get_name('Fe'); #$name is 'Iron'
$name = get_name('fe'); #$name is 'Iron'
$name = get_name(26); #$name is 'Iron'
$name = get_name('Iron'); #$name is 'Iron'
$name = get_name('iron'); #$name is 'Iron'- If there is no Z can be found, nothing is returned.
- Since this function will return the name if it is given a
name, you can use it to test whether a string is a chemi
cal element name (although you have to play some tricks
with case since get_name will try its best despite the
case of the input data).
if( lc($string) eq lc( get_name($string) ) ){
#stuff
}- You can modify the names (e.g. for different languages) by
changing the data at the end of this module. - get_Z()
- This function attempts to return the atomic number of the
chemical element given either the chemical symbol, element
name, or atomic number. The function does its best to
interpret inconsistent input data (e.g. chemcial symbols
of mixed and single case).
$name = get_Z('Fe'); #$name is 26
$name = get_Z('fe'); #$name is 26
$name = get_Z(26); #$name is 26
$name = get_Z('Iron'); #$name is 26
$name = get_Z('iron'); #$name is 26- If there is no Z can be found, nothing is returned.
- Since this function will return the Z if it is given a Z,
you can use it to test whether a string is an atomic num
ber. You might want to use the string comparison in case
the $string is not a number (in which case the comparison
will be false save for the case when $string is unde
fined).
if( $string eq get_Z($string) ){
#stuff
}- The package constructor automatically finds the largest
defined atomic number (in case you add your own heavy ele
ments). - AUTOLOADing methods
- You can pseudo-define additional methods to associate data
with objects. For instance, if you wanted to add a molar
mass attribute, you simply pretend that there is a
molar_mass method:
$element->molar_mass($MM); #add molar mass datum- in $MM to object
- Similiarly, you can retrieve previously set values by not
specifying an argument to your pretend method:
$datum = $element->molar_mass();- #or without the parentheses
$datum = $element->molar_mass; - If a value has not been associated with the pretend method
and the object, the pretend method returns nothing. - I had thought about providing basic data for the elements,
but thought that anyone using this module would probably
have their own data. If there is an interest in canned
data, perhaps I can provide mine :)
TO DO
I would like make this module easily localizable so that
one could specify other names or symbols for the elements
(i.e. a different language or a different perspective on
the heavy elements). If anyone should make changes to the
data, i would like to get a copy so that i can include it
in future releases :)
AUTHOR
- brian d foy <comdog@panix.com>