| Revision: | 498 |
| Committed: | Mon Apr 14 21:22:54 2003 UTC (22 years ago) by mmeineke |
| File size: | 654 byte(s) |
| Log Message: | working on the system builder |
| # | Content |
|---|---|
| 1 | #ifndef __SYSBUILD_H__ |
| 2 | #define __SYSBUILD_H__ |
| 3 | |
| 4 | typedef struct{ |
| 5 | char* in_name; |
| 6 | char* out_prefix; |
| 7 | int isRandom; |
| 8 | } sysBuildInfo; |
| 9 | |
| 10 | typedef struct{ |
| 11 | char name[200]; |
| 12 | int nMol; |
| 13 | bwMolLinked* next; |
| 14 | } bwMolLinked; |
| 15 | |
| 16 | typedef struct{ |
| 17 | char forceField[200]; |
| 18 | char ensemble[100]; |
| 19 | double targetTemp; |
| 20 | double dt; |
| 21 | double runTime; |
| 22 | int nComponents; |
| 23 | bwMolLinked* components; |
| 24 | |
| 25 | int havePressure; |
| 26 | int haveTauBarrostat; |
| 27 | int haveTauTemp; |
| 28 | int haveQmass; |
| 29 | |
| 30 | double targetPressure; |
| 31 | double tauBarrostat; |
| 32 | double tauTemp; |
| 33 | double Qmass; |
| 34 | |
| 35 | } bassWriteInfo; |
| 36 | |
| 37 | |
| 38 | extern void writeBass( char* out_prefix, bassWriteInfo &bwInfo ); |
| 39 | |
| 40 | |
| 41 | #endif // __sysbuild_h__ |