00001 #ifndef COMPRESSPSF_H 00002 #define COMPRESSPSF_H 00003 00004 #include "structures.h" 00005 #include <string> 00006 #include <deque> 00007 using namespace std; 00008 00009 class Molecule; 00010 class Parameters; 00011 class SimParameters; 00012 class ConfigList; 00013 00014 void compress_psf_file(Molecule *mol, char *psfFileName, Parameters *param, SimParameters *simParam, ConfigList* cfgList); 00015 00016 template <typename T> 00017 int lookupCstPool(const vector<T>& pool, const T& val) 00018 { 00019 for(int i=0; i<pool.size(); i++) 00020 { 00021 if(pool[i]==val) 00022 return i; 00023 } 00024 return -1; 00025 } 00026 #endif
1.3.9.1