--- trunk/src/applications/randomBuilder/randomBuilder.cpp 2006/10/10 14:52:20 1065 +++ trunk/src/applications/randomBuilder/randomBuilder.cpp 2006/10/18 19:35:07 1077 @@ -42,7 +42,7 @@ * * Created by Charles F. Vardeman II on 10 Apr 2006. * @author Charles F. Vardeman II - * @version $Id: randomBuilder.cpp,v 1.5 2006-10-10 14:52:20 gezelter Exp $ + * @version $Id: randomBuilder.cpp,v 1.7 2006-10-18 19:35:07 gezelter Exp $ * */ @@ -105,7 +105,7 @@ int main(int argc, char *argv []) { density = args_info.density_arg; //get lattice type - latticeType = UpperCase(args_info.latticetype_arg); + latticeType = "FCC"; simpleLat = LatticeFactory::getInstance()->createLattice(latticeType); @@ -388,5 +388,14 @@ void createMdFile(const std::string&oldMdFileName, oldMdFile.close(); newMdFile.close(); + + if (i != nMol.size()) { + sprintf(painCave.errMsg, "Couldn't replace the correct number of nMol\n" + "\tstatements in component blocks. Make sure that all\n" + "\tcomponents in the template file have nMol=1"); + painCave.isFatal = 1; + simError(); + } + }