--- trunk/OOPSE/libmdtools/SimState.cpp 2004/05/07 21:35:05 1150 +++ trunk/OOPSE/libmdtools/SimState.cpp 2004/05/12 16:38:45 1167 @@ -19,8 +19,6 @@ SimState::SimState(){ Amat = NULL; mu = NULL; ul = NULL; - rc = NULL; - massRatio = NULL; } @@ -33,8 +31,6 @@ SimState::~SimState(){ if(Amat != NULL) delete[] Amat; if(mu != NULL) delete[] mu; if(ul != NULL) delete[] ul; - if(rc != NULL) delete[] rc; - if(massRatio != NULL) delete[] massRatio; } @@ -60,8 +56,6 @@ void SimState::createArrays (int the_nElements) { Amat = new double[nElements*9]; mu = new double[nElements]; ul = new double[nElements*3]; - rc = new double[nElements*3]; - massRatio = new double[nElements]; // init directional values to zero @@ -104,8 +98,6 @@ void SimState::destroyArrays( void ){ if(Amat != NULL) delete[] Amat; if(mu != NULL) delete[] mu; if(ul != NULL) delete[] ul; - if(rc != NULL) delete[] rc; - if(massRatio != NULL) delete[] massRatio; pos = NULL; vel = NULL; @@ -114,9 +106,8 @@ void SimState::destroyArrays( void ){ Amat = NULL; mu = NULL; ul = NULL; - rc = NULL; - massRatio = NULL; + arraysAllocated = false; nElements = 0; } @@ -128,9 +119,7 @@ void SimState::getAtomPointers( int index, double** the_trq, double** the_Amat, double** the_mu, - double** the_ul, - double** the_rc, - double** the_massRatio){ + double** the_ul){ int index3, index9; if( arraysAllocated ){ @@ -145,8 +134,6 @@ void SimState::getAtomPointers( int index, *the_Amat = &(Amat[index9]); *the_mu = &(mu[index]); *the_ul = &(ul[index3]); - *the_rc = &(rc[index3]); - *the_massRatio = &(massRatio[index]); } else{