search

ywangd / mspms2

Automatically exported from code.google.com/p/mspms2
0 stars 1 forks source link

Add mole_last_atom_idx and similar variables for searching atoms of a molecule #35

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
Currently, the searching of the atom list, bond list, etc. is done by using
the mole_first_atom_idx[] of two adjacent molecules.
E.g. mole_first_atom_idx[5], mole_first_atom_idx[6] are used to find the
atom list of molecule 5.
Add a mole_last_atom_idx[] to avoid using 2 mole_first_atom_idx[].
Therefore, we can avoid problems if the two adjacent molecules are not
continuous in the atom list. (This could happen while doing
insertion/deletion?)

Original issue reported on code.google.com by ywa...@gmail.com on 20 Dec 2007 at 1:53

GoogleCodeExporter commented 9 years ago 
Done.

Original comment by ywa...@gmail.com on 21 Dec 2007 at 3:46