mengine/src/atom_k.h

EXTERN struct t_atom_k {
        int natomtype;
        int type[MAXATOMTYPE], valency[MAXATOMTYPE];
        int tclass[MAXCLASS], tclass1[MAXCLASS], tclass2[MAXCLASS];
        char symbol[MAXATOMTYPE][5], description[MAXATOMTYPE][21];
        int  number[MAXATOMTYPE];
        float weight[MAXATOMTYPE];
        int   ligands[MAXATOMTYPE];
        }  atom_k;
EXTERN struct t_atom_def {
    int natomtype;
    int type[MAXATOMTYPE],valency[MAXATOMTYPE],number[MAXATOMTYPE],ligands[MAXATOMTYPE];
    float weight[MAXATOMTYPE];
    char  symbol[MAXATOMTYPE][5];
    }  atom_def;
        
Revision:	93
Committed:	Sat Jan 17 23:24:55 2009 UTC (13 years, 3 months ago) by wdelano
File size:	587 byte(s)
Log Message:	branch created
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