--- trunk/OOPSE/libmdtools/ForceFields.hpp 2004/06/11 14:13:54 1260 +++ trunk/OOPSE/libmdtools/ForceFields.hpp 2004/06/11 14:14:10 1261 @@ -58,12 +58,14 @@ class ForceFields{ (public) class ForceFields{ public: - ForceFields(){ frcFile = NULL; entry_plug = NULL; } + ForceFields(){ frcFile = NULL; entry_plug = NULL; has_variant=0;} + ForceFields(char * theVariant ){ frcFile = NULL; entry_plug = NULL; has_variant=1; strcpy(variant, theVariant); } virtual ~ForceFields(){} void setSimInfo( SimInfo* the_entry_plug ) { entry_plug = the_entry_plug; } virtual void readParams( void ) = 0; + virtual void cleanMe( void ) = 0; @@ -97,6 +99,8 @@ class ForceFields{ (public) int lineNum; char readLine[500]; char* eof_test; + char variant[100]; + short int has_variant; double bigSigma; }; @@ -156,6 +160,7 @@ class EAM_FF : public ForceFields{ (public) public: EAM_FF(); + EAM_FF(char* the_variant); virtual ~EAM_FF();