User 870ab5b546
07-07-2006 13:27:45
int getColumn(int z)
int getRow(int z)
returns the row and column of the element. Uses the Arabic numbering system for columns; e.g., C is in column 14. Returns a negative number for columns of lanthanides and actinides.
ChemAxon 7c2d26e5cf
07-07-2006 15:41:26
We will consider your suggestion.
ChemAxon d76e6e95eb
07-07-2006 20:04:10
The PeriodicSystem class could certainly be extended with lots of data and functions, but we would like limit ourselves to the most essential ones at the moment. Is there a special reason why this information should be added to Marvin?
User 870ab5b546
07-07-2006 20:19:46
It's a lot easier to calculate the number of valence electrons that an atom has if you know its column in the periodic table.
The column determines a lot of properties, so I thought it would be useful to others, too.
It's easy for us to write our own method, but it's really something that should be in the MolAtom class.
ChemAxon d76e6e95eb
12-07-2006 13:43:09
OK, it will be part of the upcoming Marvin release. Why negative number for Lantanides and Actinides? Many periodic system assign them to group 3 (though they are special).
User 870ab5b546
12-07-2006 14:05:29
Because they are special, and assigning them a negative number distinguishes them from each other and from the other elements. A user can always convert the negative number to 3.
ChemAxon d76e6e95eb
12-07-2006 14:42:12
But a user can always check that its atomic number is among the Lantanides or Actinides. (Negative group number is not too feasible for the periodic system)