52 |
|
InitializeFromFile( char *in_name ); |
53 |
|
~InitializeFromFile(); |
54 |
|
|
55 |
< |
void read_xyz( SimInfo* the_entry_plug ); |
55 |
> |
void readInit( SimInfo* the_entry_plug ); |
56 |
|
|
57 |
|
private: |
58 |
|
char* parseDumpLine(char* line, int atomIndex); |
59 |
+ |
char* parseBoxLine(char* line, double boxMat[9], double &time ); |
60 |
|
FILE *c_in_file; |
61 |
|
char c_in_name[500]; |
62 |
< |
SimInfo* entry_plug; |
62 |
> |
SimInfo* simnfo; |
63 |
|
}; |
64 |
|
|
65 |
+ |
class DumpReader{ |
66 |
|
|
67 |
+ |
public: |
68 |
+ |
DumpReader( char *in_name ); |
69 |
+ |
~DumpReader(); |
70 |
|
|
71 |
+ |
int getNframes(); |
72 |
+ |
void getNextFrame(); |
73 |
+ |
void getFrame(SimInfo* the_entry_plug, int whichFrame); |
74 |
+ |
void rewind(); |
75 |
+ |
|
76 |
+ |
private: |
77 |
+ |
char* parseDumpLine(char* line, int atomIndex); |
78 |
+ |
char* parseCommentLine(char* line, double &time, double boxMat[9] ); |
79 |
+ |
FILE *c_in_file; |
80 |
+ |
char c_in_name[500]; |
81 |
+ |
SimInfo* simnfo; |
82 |
+ |
}; |
83 |
+ |
|
84 |
+ |
|
85 |
+ |
|
86 |
|
#endif |