--- trunk/mdtools/headers/ForceFields.hpp 2002/12/19 21:59:51 215 +++ trunk/mdtools/headers/ForceFields.hpp 2003/01/10 21:55:45 233 @@ -70,6 +70,10 @@ class ForceFields{ (protected) FILE *frcFile; SimInfo* entry_plug; + + int lineNum; + char readLine[500]; + char* eof_test; }; @@ -120,6 +124,25 @@ class LJ_FF : public ForceFields{ (public) void initializeBonds( bond_pair* the_bonds ); void initializeBends( bend_set* the_bends ); void initializeTorsions( torsion_set* the_torsions ); + void setLJfortran( void (*fortranSub)( double* positionArray, + double* forceArray, + double* potentialEnergy, + short int* doPotentialCalc ) ){ + doLJfortran = fortranSub; + } + + +private: + + void fastForward( char* stopText, char* searchOwner ); + + // set our sister fortran module's function to be our own. + void wrapMe( void ); + void (*doLJfortran)( double* positionArray, + double* forceArray, + double* potentialEnergy, + short int* doPotentialCalc ); + }; #endif