--- trunk/OOPSE/libmdtools/InitializeFromFile.cpp 2004/01/08 18:13:30 911 +++ trunk/OOPSE/libmdtools/InitializeFromFile.cpp 2004/04/12 20:32:20 1097 @@ -327,7 +327,7 @@ char* InitializeFromFile::parseDumpLine(char* readLine double pos[3]; // position place holders double vel[3]; // velocity placeholders double q[4]; // the quaternions - double jx, jy, jz; // angular velocity placeholders; + double ji[3]; // angular velocity placeholders; double qSqr, qLength; // needed to normalize the quaternion vector. Atom **atoms = simnfo->atoms; @@ -490,7 +490,7 @@ char* InitializeFromFile::parseDumpLine(char* readLine c_in_name, n_atoms, atomIndex ); return strdup( painCave.errMsg ); } - jx = atof( foo ); + ji[0] = atof( foo ); foo = strtok(NULL, " ,;\t"); if(foo == NULL){ @@ -500,7 +500,7 @@ char* InitializeFromFile::parseDumpLine(char* readLine c_in_name, n_atoms, atomIndex ); return strdup( painCave.errMsg ); } - jy = atof(foo ); + ji[1] = atof(foo ); foo = strtok(NULL, " ,;\t"); if(foo == NULL){ @@ -510,7 +510,7 @@ char* InitializeFromFile::parseDumpLine(char* readLine c_in_name, n_atoms, atomIndex ); return strdup( painCave.errMsg ); } - jz = atof( foo ); + ji[2] = atof( foo ); dAtom = ( DirectionalAtom* )atoms[atomIndex]; @@ -528,9 +528,7 @@ char* InitializeFromFile::parseDumpLine(char* readLine // add the angular velocities - dAtom->setJx( jx ); - dAtom->setJy( jy ); - dAtom->setJz( jz ); + dAtom->setJ( ji ); } // add the positions and velocities to the atom