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structures.h
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20 
29 #ifndef __MYCHEM_STRUCTURES_H
30 #define __MYCHEM_STRUCTURES_H
31 
32 typedef struct {
33  unsigned long int size;
34  char * str;
36 
37 typedef struct
38 {
39  unsigned int idx;
41  unsigned char atomicnum;
42  unsigned short isotope;
44  unsigned char spinmultiplicity;
45  unsigned char aromatic;
46 } _ATOM;
47 
48 typedef struct
49 {
50  unsigned int beginidx;
51  unsigned int endidx;
52  unsigned char order;
53  unsigned char aromatic;
54 } _BOND;
55 
56 #endif /* __MYCHEM_STRUCTURES_H */
57 
unsigned char atomicnum
Definition: structures.h:41
char * str
Definition: structures.h:34
Definition: structures.h:48
char formalcharge
Definition: structures.h:43
Definition: structures.h:32
unsigned char aromatic
Definition: structures.h:53
unsigned long int size
Definition: structures.h:33
unsigned char aromatic
Definition: structures.h:45
unsigned short isotope
Definition: structures.h:42
unsigned int beginidx
Definition: structures.h:50
unsigned char spinmultiplicity
Definition: structures.h:44
unsigned int idx
Definition: structures.h:39
unsigned int endidx
Definition: structures.h:51
int hybridization
Definition: structures.h:40
Definition: structures.h:37
unsigned char order
Definition: structures.h:52