Toolkit Tutorial: Programming



  
dt_Handle
 
molecule
,
 
atom
;

  

dt_Integer
 
acount
,
 
bcount
,
 
ccount
;


  

/* allocate a molecule */

  

molecule
 
=
 
dt_alloc_mol
();

  

/* add an oxygen atom */

  

dt_mod_on
(
molecule
);

  

atom
 
=
 
dt_addatom
(
molecule
,
 
8
,
 
2
);

  

dt_mod_off
(
molecule
);

  

/* water has been created */


  

/* count atoms, bonds, and cycles */

  

acount
 
=
 
dt_count
(
molecule
,
 
TYP_ATOM
);

  

bcount
 
=
 
dt_count
(
molecule
,
 
TYP_BOND
);

  

ccount
 
=
 
dt_count
(
molecule
,
 
TYP_CYCLE
);

  

printf
(
"There are %d atoms, %d bonds, and %d cycles.\n"
,

         

acount
,
 
bcount
,
 
ccount
);