ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/freemol/trunk/smi23d/src/mengine/atom_k.h
Revision: 3
Committed: Mon Jun 9 21:38:26 2008 UTC (11 years, 4 months ago) by tjod
File size: 587 byte(s)
Log Message:
test

Line File contents
1 EXTERN struct t_atom_k {
2 int natomtype;
3 int type[MAXATOMTYPE], valency[MAXATOMTYPE];
4 int tclass[MAXCLASS], tclass1[MAXCLASS], tclass2[MAXCLASS];
5 char symbol[MAXATOMTYPE][5], description[MAXATOMTYPE][21];
6 int number[MAXATOMTYPE];
7 float weight[MAXATOMTYPE];
8 int ligands[MAXATOMTYPE];
9 } atom_k;
10 EXTERN struct t_atom_def {
11 int natomtype;
12 int type[MAXATOMTYPE],valency[MAXATOMTYPE],number[MAXATOMTYPE],ligands[MAXATOMTYPE];
13 float weight[MAXATOMTYPE];
14 char symbol[MAXATOMTYPE][5];
15 } atom_def;
16